6-amino-N-(7-aminoheptyl)hexanamide

C13H29N3O — CID 56980494

IUPAC6-amino-N-(7-aminoheptyl)hexanamide
SMILESNCCCCCCCNC(=O)CCCCCN
InChIInChI=1S/C13H29N3O/c14-10-6-2-1-3-8-12-16-13(17)9-5-4-7-11-15/h1-12,14-15H2,(H,16,17)
InChIKeyIEGJFDPDYZBGHQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.53
Rot. Bonds12

About 6-amino-N-(7-aminoheptyl)hexanamide

6-amino-N-(7-aminoheptyl)hexanamide (PubChem CID 56980494) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 6-amino-N-(7-aminoheptyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(7-aminoheptyl)hexanamide
PubChem CID56980494
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name6-amino-N-(7-aminoheptyl)hexanamide
SMILESNCCCCCCCNC(=O)CCCCCN
InChIInChI=1S/C13H29N3O/c14-10-6-2-1-3-8-12-16-13(17)9-5-4-7-11-15/h1-12,14-15H2,(H,16,17)
InChIKeyIEGJFDPDYZBGHQ-UHFFFAOYSA-N
XLogP1.53
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
N-(9-aminononyl)nonanamide
CID 154091260
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
6-amino-N-(4-sulfanylbutyl)hexanamide
CID 162689311
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(6-aminohexyl)dodecanamide
CID 13030555

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(7-aminoheptyl)hexanamide?
The IUPAC name of 6-amino-N-(7-aminoheptyl)hexanamide (CID 56980494) is 6-amino-N-(7-aminoheptyl)hexanamide.
What is the SMILES notation for 6-amino-N-(7-aminoheptyl)hexanamide?
The canonical SMILES for 6-amino-N-(7-aminoheptyl)hexanamide is NCCCCCCCNC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-(7-aminoheptyl)hexanamide?
The InChIKey is IEGJFDPDYZBGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c14-10-6-2-1-3-8-12-16-13(17)9-5-4-7-11-15/h1-12,14-15H2,(H,16,17).
What are the key properties of 6-amino-N-(7-aminoheptyl)hexanamide?
6-amino-N-(7-aminoheptyl)hexanamide has a molecular weight of 243.39 g/mol, XLogP of 1.53, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(7-aminoheptyl)hexanamide is sourced from PubChem (CID 56980494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).