N,N'-bis(12-aminododecyl)octanediamide

C32H66N4O2 — CID 58602052

IUPACN,N'-bis(12-aminododecyl)octanediamide
SMILESNCCCCCCCCCCCCNC(=O)CCCCCCC(=O)NCCCCCCCCCCCCN
InChIInChI=1S/C32H66N4O2/c33-27-21-15-9-5-1-3-7-11-17-23-29-35-31(37)25-19-13-14-20-26-32(38)36-30-24-18-12-8-4-2-6-10-16-22-28-34/h1-30,33-34H2,(H,35,37)(H,36,38)
InChIKeyKFJPQFJWHMNXOK-UHFFFAOYSA-N
MW538.91 g/mol
LogP7.28
Rot. Bonds31

About N,N'-bis(12-aminododecyl)octanediamide

N,N'-bis(12-aminododecyl)octanediamide (PubChem CID 58602052) has the molecular formula C32H66N4O2 and a molecular weight of 538.91 g/mol. Its IUPAC name is N,N'-bis(12-aminododecyl)octanediamide.

Molecular Properties

Compound NameN,N'-bis(12-aminododecyl)octanediamide
PubChem CID58602052
Molecular FormulaC32H66N4O2
Molecular Weight538.91 g/mol
Exact Mass538.52
IUPAC NameN,N'-bis(12-aminododecyl)octanediamide
SMILESNCCCCCCCCCCCCNC(=O)CCCCCCC(=O)NCCCCCCCCCCCCN
InChIInChI=1S/C32H66N4O2/c33-27-21-15-9-5-1-3-7-11-17-23-29-35-31(37)25-19-13-14-20-26-32(38)36-30-24-18-12-8-4-2-6-10-16-22-28-34/h1-30,33-34H2,(H,35,37)(H,36,38)
InChIKeyKFJPQFJWHMNXOK-UHFFFAOYSA-N
XLogP7.28
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.91
LogP ≤ 57.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
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
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
N-(9-aminononyl)nonanamide
CID 154091260
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
6-amino-N-(4-sulfanylbutyl)hexanamide
CID 162689311
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(6-aminohexyl)dodecanamide
CID 13030555

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(12-aminododecyl)octanediamide?
The IUPAC name of N,N'-bis(12-aminododecyl)octanediamide (CID 58602052) is N,N'-bis(12-aminododecyl)octanediamide.
What is the SMILES notation for N,N'-bis(12-aminododecyl)octanediamide?
The canonical SMILES for N,N'-bis(12-aminododecyl)octanediamide is NCCCCCCCCCCCCNC(=O)CCCCCCC(=O)NCCCCCCCCCCCCN.
What is the InChIKey of N,N'-bis(12-aminododecyl)octanediamide?
The InChIKey is KFJPQFJWHMNXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66N4O2/c33-27-21-15-9-5-1-3-7-11-17-23-29-35-31(37)25-19-13-14-20-26-32(38)36-30-24-18-12-8-4-2-6-10-16-22-28-34/h1-30,33-34H2,(H,35,37)(H,36,38).
What are the key properties of N,N'-bis(12-aminododecyl)octanediamide?
N,N'-bis(12-aminododecyl)octanediamide has a molecular weight of 538.91 g/mol, XLogP of 7.28, 31 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(12-aminododecyl)octanediamide is sourced from PubChem (CID 58602052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).