N-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane

C107H223N14O8+ — CID 161488881

IUPACN-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane
SMILESC.CCCC(=O)C(C)CCCCN=C(N)N.CCCCCCCC(=O)C(CCC[NH+]=C(N)N)NC(=O)CCCC.CCCCCCCC(=O)NC.CCCCCCCCCCCC(=O)NC.CCCCCCCCCCCC(=O)NC(CCCCN)C(=O)CCC.CCCCCCCCCCCCC(=O)C(C)CCCN=C(N)N.CCCCCCCCCCCCCCC
InChIInChI=1S/C21H42N2O2.C19H39N3O.C18H36N4O2.C15H32.C13H27NO.C11H23N3O.C9H19NO.CH4/c1-3-5-6-7-8-9-10-11-12-17-21(25)23-19(16-13-14-18-22)20(24)15-4-2;1-3-4-5-6-7-8-9-10-11-12-15-18(23)17(2)14-13-16-22-19(20)21;1-3-5-7-8-9-12-16(23)15(11-10-14-21-18(19)20)22-17(24)13-6-4-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-4-5-6-7-8-9-10-11-12-13(15)14-2;1-3-6-10(15)9(2)7-4-5-8-14-11(12)13;1-3-4-5-6-7-8-9(11)10-2;/h19H,3-18,22H2,1-2H3,(H,23,25);17H,3-16H2,1-2H3,(H4,20,21,22);15H,3-14H2,1-2H3,(H,22,24)(H4,19,20,21);3-15H2,1-2H3;3-12H2,1-2H3,(H,14,15);9H,3-8H2,1-2H3,(H4,12,13,14);3-8H2,1-2H3,(H,10,11);1H4/p+1
InChIKeyWFINOUQNCIYTCH-UHFFFAOYSA-O
MW1834.05 g/mol
LogP24.09
Rot. Bonds85

About N-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane

N-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane (PubChem CID 161488881) has the molecular formula C107H223N14O8+ and a molecular weight of 1834.05 g/mol. Its IUPAC name is N-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane.

Molecular Properties

Compound NameN-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane
PubChem CID161488881
Molecular FormulaC107H223N14O8+
Molecular Weight1834.05 g/mol
Exact Mass1832.75
IUPAC NameN-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane
SMILESC.CCCC(=O)C(C)CCCCN=C(N)N.CCCCCCCC(=O)C(CCC[NH+]=C(N)N)NC(=O)CCCC.CCCCCCCC(=O)NC.CCCCCCCCCCCC(=O)NC.CCCCCCCCCCCC(=O)NC(CCCCN)C(=O)CCC.CCCCCCCCCCCCC(=O)C(C)CCCN=C(N)N.CCCCCCCCCCCCCCC
InChIInChI=1S/C21H42N2O2.C19H39N3O.C18H36N4O2.C15H32.C13H27NO.C11H23N3O.C9H19NO.CH4/c1-3-5-6-7-8-9-10-11-12-17-21(25)23-19(16-13-14-18-22)20(24)15-4-2;1-3-4-5-6-7-8-9-10-11-12-15-18(23)17(2)14-13-16-22-19(20)21;1-3-5-7-8-9-12-16(23)15(11-10-14-21-18(19)20)22-17(24)13-6-4-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-4-5-6-7-8-9-10-11-12-13(15)14-2;1-3-6-10(15)9(2)7-4-5-8-14-11(12)13;1-3-4-5-6-7-8-9(11)10-2;/h19H,3-18,22H2,1-2H3,(H,23,25);17H,3-16H2,1-2H3,(H4,20,21,22);15H,3-14H2,1-2H3,(H,22,24)(H4,19,20,21);3-15H2,1-2H3;3-12H2,1-2H3,(H,14,15);9H,3-8H2,1-2H3,(H4,12,13,14);3-8H2,1-2H3,(H,10,11);1H4/p+1
InChIKeyWFINOUQNCIYTCH-UHFFFAOYSA-O
XLogP24.09
TPSA405.51 Ų
H-Bond Donors12
H-Bond Acceptors11
Rotatable Bonds85
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001834.05
LogP ≤ 524.09
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane with MolForge

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Related Compounds

N-(1-amino-3-oxohexan-2-yl)dodecanamide;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide;diaminomethylidene-[4-(octadecanoylamino)-5-oxododecyl]azanium;diaminomethylidene-[4-(octadecanoylamino)-5-oxooctyl]azanium
CID 160859405
N-(1-amino-5-oxoheptadecan-4-yl)octanamide;N-(1-amino-5-oxotetradecan-4-yl)octanamide;N-[1-(diaminomethylideneamino)-5-oxohexadecan-4-yl]dodecanamide;N-[1-(diaminomethylideneamino)-5-oxooctan-4-yl]decanamide;N-[1-(diaminomethylideneamino)-5-oxooctan-4-yl]tetradecanamide;N-[1-(diaminomethylideneamino)-5-oxotetradecan-4-yl]dodecanamide;N-[1-(diaminomethylideneamino)-5-oxotetradecan-4-yl]octanamide
CID 159464538
N-[1-(1-aminoethylideneamino)-6-oxononan-5-yl]dodecanamide;1-aminoethylidene-[4-(octadecanoylamino)-5-oxoheptyl]azanium;N-(1-amino-6-oxononan-5-yl)dodecanamide;N-(1-amino-5-oxooctan-4-yl)dodecanamide;diaminomethylidene-[4-(dodecanoylamino)-5-oxoheptyl]azanium
CID 157283332
N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide
CID 147790356
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-(methylamino)-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-(hexadecanoylamino)-5-oxopentanoic acid
CID 88573015
(4S)-5-[[(2S)-6-amino-1-[[(4S)-1-chloro-7-(diaminomethylideneamino)-3-oxoheptan-4-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-(decanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid
CID 11721925
methyl (2S)-5-(diaminomethylideneamino)-2-(tridecanoylamino)pentanoate
CID 101199795
N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide
CID 155426715
N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide
CID 130351961
N-[1-[[1-[[6-amino-1-[[1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide
CID 74655429
N-[(2R)-6-amino-1-[[(5S,8R)-1-amino-8-[[(2R)-5-(diaminomethylideneamino)pentan-2-yl]carbamoyl]-10-methyl-6-oxoundecan-5-yl]amino]-1-oxohexan-2-yl]hexadecanamide
CID 159785736
N-[(2S)-6-amino-1-[[(5R,8R)-1-amino-8-[[(2R)-5-(diaminomethylideneamino)pentan-2-yl]carbamoyl]-10-methyl-6-oxoundecan-5-yl]amino]-1-oxohexan-2-yl]hexadecanamide
CID 159785726

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane?
The IUPAC name of N-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane (CID 161488881) is N-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane.
What is the SMILES notation for N-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane?
The canonical SMILES for N-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane is C.CCCC(=O)C(C)CCCCN=C(N)N.CCCCCCCC(=O)C(CCC[NH+]=C(N)N)NC(=O)CCCC.CCCCCCCC(=O)NC.CCCCCCCCCCCC(=O)NC.CCCCCCCCCCCC(=O)NC(CCCCN)C(=O)CCC.CCCCCCCCCCCCC(=O)C(C)CCCN=C(N)N.CCCCCCCCCCCCCCC.
What is the InChIKey of N-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane?
The InChIKey is WFINOUQNCIYTCH-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H42N2O2.C19H39N3O.C18H36N4O2.C15H32.C13H27NO.C11H23N3O.C9H19NO.CH4/c1-3-5-6-7-8-9-10-11-12-17-21(25)23-19(16-13-14-18-22)20(24)15-4-2;1-3-4-5-6-7-8-9-10-11-12-15-18(23)17(2)14-13-16-22-19(20)21;1-3-5-7-8-9-12-16(23)15(11-10-14-21-18(19)20)22-17(24)13-6-4-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-4-5-6-7-8-9-10-11-12-13(15)14-2;1-3-6-10(15)9(2)7-4-5-8-14-11(12)13;1-3-4-5-6-7-8-9(11)10-2;/h19H,3-18,22H2,1-2H3,(H,23,25);17H,3-16H2,1-2H3,(H4,20,21,22);15H,3-14H2,1-2H3,(H,22,24)(H4,19,20,21);3-15H2,1-2H3;3-12H2,1-2H3,(H,14,15);9H,3-8H2,1-2H3,(H4,12,13,14);3-8H2,1-2H3,(H,10,11);1H4/p+1.
What are the key properties of N-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane?
N-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane has a molecular weight of 1834.05 g/mol, XLogP of 24.09, 85 rotatable bonds, 12 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-6-oxononan-5-yl)dodecanamide;diaminomethylidene-[5-oxo-4-(pentanoylamino)dodecyl]azanium;methane;N-methyldodecanamide;N-methyloctanamide;2-(4-methyl-5-oxoheptadecyl)guanidine;2-(5-methyl-6-oxononyl)guanidine;pentadecane is sourced from PubChem (CID 161488881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).