13-amino-N-(6-aminohexyl)-6-oxotridecanamide

C19H39N3O2 — CID 157314658

IUPAC13-amino-N-(6-aminohexyl)-6-oxotridecanamide
SMILESNCCCCCCCC(=O)CCCCC(=O)NCCCCCCN
InChIInChI=1S/C19H39N3O2/c20-15-9-3-1-2-6-12-18(23)13-7-8-14-19(24)22-17-11-5-4-10-16-21/h1-17,20-21H2,(H,22,24)
InChIKeyBDLISMKCNFQWFL-UHFFFAOYSA-N
MW341.54 g/mol
LogP3.05
Rot. Bonds18

About 13-amino-N-(6-aminohexyl)-6-oxotridecanamide

13-amino-N-(6-aminohexyl)-6-oxotridecanamide (PubChem CID 157314658) has the molecular formula C19H39N3O2 and a molecular weight of 341.54 g/mol. Its IUPAC name is 13-amino-N-(6-aminohexyl)-6-oxotridecanamide.

Molecular Properties

Compound Name13-amino-N-(6-aminohexyl)-6-oxotridecanamide
PubChem CID157314658
Molecular FormulaC19H39N3O2
Molecular Weight341.54 g/mol
Exact Mass341.30
IUPAC Name13-amino-N-(6-aminohexyl)-6-oxotridecanamide
SMILESNCCCCCCCC(=O)CCCCC(=O)NCCCCCCN
InChIInChI=1S/C19H39N3O2/c20-15-9-3-1-2-6-12-18(23)13-7-8-14-19(24)22-17-11-5-4-10-16-21/h1-17,20-21H2,(H,22,24)
InChIKeyBDLISMKCNFQWFL-UHFFFAOYSA-N
XLogP3.05
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 53.05
H-Bond Donors ≤ 53
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(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
6-amino-N-(4-sulfanylbutyl)hexanamide
CID 162689311
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-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
N-(4-aminobutyl)tetracosanamide
CID 171117181

Frequently Asked Questions

What is the IUPAC name of 13-amino-N-(6-aminohexyl)-6-oxotridecanamide?
The IUPAC name of 13-amino-N-(6-aminohexyl)-6-oxotridecanamide (CID 157314658) is 13-amino-N-(6-aminohexyl)-6-oxotridecanamide.
What is the SMILES notation for 13-amino-N-(6-aminohexyl)-6-oxotridecanamide?
The canonical SMILES for 13-amino-N-(6-aminohexyl)-6-oxotridecanamide is NCCCCCCCC(=O)CCCCC(=O)NCCCCCCN.
What is the InChIKey of 13-amino-N-(6-aminohexyl)-6-oxotridecanamide?
The InChIKey is BDLISMKCNFQWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O2/c20-15-9-3-1-2-6-12-18(23)13-7-8-14-19(24)22-17-11-5-4-10-16-21/h1-17,20-21H2,(H,22,24).
What are the key properties of 13-amino-N-(6-aminohexyl)-6-oxotridecanamide?
13-amino-N-(6-aminohexyl)-6-oxotridecanamide has a molecular weight of 341.54 g/mol, XLogP of 3.05, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-amino-N-(6-aminohexyl)-6-oxotridecanamide is sourced from PubChem (CID 157314658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).