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

C111H222N14O10+2 — CID 157283332

IUPACN-[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
SMILESCCCCCCCCCCCC(=O)NC(CCCC/N=C(\C)N)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CCCCN)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CCCN)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CCC[NH+]=C(N)N)C(=O)CC.CCCCCCCCCCCCCCCCCC(=O)NC(CCC/[NH+]=C(\C)N)C(=O)CC
InChIInChI=1S/C27H53N3O2.C23H45N3O2.C21H42N2O2.C20H40N4O2.C20H40N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(32)30-25(26(31)5-2)21-20-23-29-24(3)28;1-4-6-7-8-9-10-11-12-13-18-23(28)26-21(22(27)16-5-2)17-14-15-19-25-20(3)24;1-3-5-6-7-8-9-10-11-12-17-21(25)23-19(16-13-14-18-22)20(24)15-4-2;1-3-5-6-7-8-9-10-11-12-15-19(26)24-17(18(25)4-2)14-13-16-23-20(21)22;1-3-5-6-7-8-9-10-11-12-16-20(24)22-18(15-13-17-21)19(23)14-4-2/h25H,4-23H2,1-3H3,(H2,28,29)(H,30,32);21H,4-19H2,1-3H3,(H2,24,25)(H,26,28);19H,3-18,22H2,1-2H3,(H,23,25);17H,3-16H2,1-2H3,(H,24,26)(H4,21,22,23);18H,3-17,21H2,1-2H3,(H,22,24)/p+2
InChIKeyAZXXVNPVKMDQEF-UHFFFAOYSA-P
MW1913.08 g/mol
LogP21.15
Rot. Bonds94

About 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

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 (PubChem CID 157283332) has the molecular formula C111H222N14O10+2 and a molecular weight of 1913.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157283332
Molecular FormulaC111H222N14O10+2
Molecular Weight1913.08 g/mol
Exact Mass1911.73
IUPAC NameN-[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
SMILESCCCCCCCCCCCC(=O)NC(CCCC/N=C(\C)N)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CCCCN)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CCCN)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CCC[NH+]=C(N)N)C(=O)CC.CCCCCCCCCCCCCCCCCC(=O)NC(CCC/[NH+]=C(\C)N)C(=O)CC
InChIInChI=1S/C27H53N3O2.C23H45N3O2.C21H42N2O2.C20H40N4O2.C20H40N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(32)30-25(26(31)5-2)21-20-23-29-24(3)28;1-4-6-7-8-9-10-11-12-13-18-23(28)26-21(22(27)16-5-2)17-14-15-19-25-20(3)24;1-3-5-6-7-8-9-10-11-12-17-21(25)23-19(16-13-14-18-22)20(24)15-4-2;1-3-5-6-7-8-9-10-11-12-15-19(26)24-17(18(25)4-2)14-13-16-23-20(21)22;1-3-5-6-7-8-9-10-11-12-16-20(24)22-18(15-13-17-21)19(23)14-4-2/h25H,4-23H2,1-3H3,(H2,28,29)(H,30,32);21H,4-19H2,1-3H3,(H2,24,25)(H,26,28);19H,3-18,22H2,1-2H3,(H,23,25);17H,3-16H2,1-2H3,(H,24,26)(H4,21,22,23);18H,3-17,21H2,1-2H3,(H,22,24)/p+2
InChIKeyAZXXVNPVKMDQEF-UHFFFAOYSA-P
XLogP21.15
TPSA427.27 Ų
H-Bond Donors13
H-Bond Acceptors13
Rotatable Bonds94
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001913.08
LogP ≤ 521.15
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1013

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-(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 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-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
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-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide
CID 147790356
diaminomethylidene-[5-[6-[[5-(diaminomethylideneazaniumyl)-2-(dodecanoylamino)pentanoyl]amino]hexylamino]-4-(dodecanoylamino)-5-oxopentyl]azanium dichloride
CID 175685515
methyl 6-amino-2-(tridecanoylamino)hexanoate
CID 19368986
methyl (2S)-6-amino-2-(icosanoylamino)hexanoate
CID 139764114
zinc bis((2S)-6-amino-2-(dodecanoylamino)hexanoate)
CID 157255279
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide
CID 174328411
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCCCC(=O)NC(CCCC/N=C(\C)N)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CCCCN)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CCCN)C(=O)CCC.CCCCCCCCCCCC(=O)NC(CCC[NH+]=C(N)N)C(=O)CC.CCCCCCCCCCCCCCCCCC(=O)NC(CCC/[NH+]=C(\C)N)C(=O)CC.
What is the InChIKey of 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?
The InChIKey is AZXXVNPVKMDQEF-UHFFFAOYSA-P. The full InChI is InChI=1S/C27H53N3O2.C23H45N3O2.C21H42N2O2.C20H40N4O2.C20H40N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(32)30-25(26(31)5-2)21-20-23-29-24(3)28;1-4-6-7-8-9-10-11-12-13-18-23(28)26-21(22(27)16-5-2)17-14-15-19-25-20(3)24;1-3-5-6-7-8-9-10-11-12-17-21(25)23-19(16-13-14-18-22)20(24)15-4-2;1-3-5-6-7-8-9-10-11-12-15-19(26)24-17(18(25)4-2)14-13-16-23-20(21)22;1-3-5-6-7-8-9-10-11-12-16-20(24)22-18(15-13-17-21)19(23)14-4-2/h25H,4-23H2,1-3H3,(H2,28,29)(H,30,32);21H,4-19H2,1-3H3,(H2,24,25)(H,26,28);19H,3-18,22H2,1-2H3,(H,23,25);17H,3-16H2,1-2H3,(H,24,26)(H4,21,22,23);18H,3-17,21H2,1-2H3,(H,22,24)/p+2.
What are the key properties of 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?
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 has a molecular weight of 1913.08 g/mol, XLogP of 21.15, 94 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157283332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).