2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane

C58H129N11O — CID 160880971

IUPAC2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane
SMILESCC(C)(C)CN.CC(C)C.CC(C)CCCN.CC(C)CCCN=C(N)N.CC(C)CCN.CC(C)CCNC(=O)C(N)CCCCN=C(N)N.CCCCCC(C)C.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C12H27N5O.C11H16.C8H18.C7H17N3.C6H15N.2C5H13N.C4H10/c1-9(2)6-8-16-11(18)10(13)5-3-4-7-17-12(14)15;1-9(2)8-11-6-4-10(3)5-7-11;1-4-5-6-7-8(2)3;1-6(2)4-3-5-10-7(8)9;1-6(2)4-3-5-7;1-5(2,3)4-6;1-5(2)3-4-6;1-4(2)3/h9-10H,3-8,13H2,1-2H3,(H,16,18)(H4,14,15,17);4-7,9H,8H2,1-3H3;8H,4-7H2,1-3H3;6H,3-5H2,1-2H3,(H4,8,9,10);6H,3-5,7H2,1-2H3;4,6H2,1-3H3;5H,3-4,6H2,1-2H3;4H,1-3H3
InChIKeySNAFUMSJWGMUHK-UHFFFAOYSA-N
MW996.75 g/mol
LogP12.06
Rot. Bonds24

About 2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane

2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane (PubChem CID 160880971) has the molecular formula C58H129N11O and a molecular weight of 996.75 g/mol. Its IUPAC name is 2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane.

Molecular Properties

Compound Name2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane
PubChem CID160880971
Molecular FormulaC58H129N11O
Molecular Weight996.75 g/mol
Exact Mass996.04
IUPAC Name2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane
SMILESCC(C)(C)CN.CC(C)C.CC(C)CCCN.CC(C)CCCN=C(N)N.CC(C)CCN.CC(C)CCNC(=O)C(N)CCCCN=C(N)N.CCCCCC(C)C.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C12H27N5O.C11H16.C8H18.C7H17N3.C6H15N.2C5H13N.C4H10/c1-9(2)6-8-16-11(18)10(13)5-3-4-7-17-12(14)15;1-9(2)8-11-6-4-10(3)5-7-11;1-4-5-6-7-8(2)3;1-6(2)4-3-5-10-7(8)9;1-6(2)4-3-5-7;1-5(2,3)4-6;1-5(2)3-4-6;1-4(2)3/h9-10H,3-8,13H2,1-2H3,(H,16,18)(H4,14,15,17);4-7,9H,8H2,1-3H3;8H,4-7H2,1-3H3;6H,3-5H2,1-2H3,(H4,8,9,10);6H,3-5,7H2,1-2H3;4,6H2,1-3H3;5H,3-4,6H2,1-2H3;4H,1-3H3
InChIKeySNAFUMSJWGMUHK-UHFFFAOYSA-N
XLogP12.06
TPSA261.98 Ų
H-Bond Donors9
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500996.75
LogP ≤ 512.06
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 107

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 2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane with MolForge

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Related Compounds

(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 22801050
2-amino-6-(diaminomethylideneamino)-N-(3-methylpentyl)hexanamide
CID 155310394
N'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene
CID 158835356
(2R)-N-[3-(diaminomethylideneamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 121452328
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 175909558
2-(5-methylhexyl)guanidine;1-methyl-4-(2-methylpropyl)benzene;7-methyloctan-2-imine
CID 160531063
(2S)-2-amino-N-[4-(3-aminopropylamino)butyl]-5-(diaminomethylideneamino)pentanamide
CID 10881162
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-phenylpropanoic acid;2,5-diaminopentanoic acid
CID 174368733
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]propanoic acid
CID 155520728
2-amino-5-(diaminomethylideneamino)-N-(2-oxo-2-phosphanylethyl)pentanamide;2-methylpropane
CID 178063021
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide
CID 10677930
(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide
CID 141439784

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane?
The IUPAC name of 2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane (CID 160880971) is 2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane.
What is the SMILES notation for 2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane?
The canonical SMILES for 2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane is CC(C)(C)CN.CC(C)C.CC(C)CCCN.CC(C)CCCN=C(N)N.CC(C)CCN.CC(C)CCNC(=O)C(N)CCCCN=C(N)N.CCCCCC(C)C.Cc1ccc(CC(C)C)cc1.
What is the InChIKey of 2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane?
The InChIKey is SNAFUMSJWGMUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5O.C11H16.C8H18.C7H17N3.C6H15N.2C5H13N.C4H10/c1-9(2)6-8-16-11(18)10(13)5-3-4-7-17-12(14)15;1-9(2)8-11-6-4-10(3)5-7-11;1-4-5-6-7-8(2)3;1-6(2)4-3-5-10-7(8)9;1-6(2)4-3-5-7;1-5(2,3)4-6;1-5(2)3-4-6;1-4(2)3/h9-10H,3-8,13H2,1-2H3,(H,16,18)(H4,14,15,17);4-7,9H,8H2,1-3H3;8H,4-7H2,1-3H3;6H,3-5H2,1-2H3,(H4,8,9,10);6H,3-5,7H2,1-2H3;4,6H2,1-3H3;5H,3-4,6H2,1-2H3;4H,1-3H3.
What are the key properties of 2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane?
2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane has a molecular weight of 996.75 g/mol, XLogP of 12.06, 24 rotatable bonds, 9 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane is sourced from PubChem (CID 160880971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).