N,N'-bis(7-aminoheptyl)pentanediamide

C19H40N4O2 — CID 86136288

IUPACN,N'-bis(7-aminoheptyl)pentanediamide
SMILESNCCCCCCCNC(=O)CCCC(=O)NCCCCCCCN
InChIInChI=1S/C19H40N4O2/c20-14-7-3-1-5-9-16-22-18(24)12-11-13-19(25)23-17-10-6-2-4-8-15-21/h1-17,20-21H2,(H,22,24)(H,23,25)
InChIKeyFZRPTGGPFQCZTR-UHFFFAOYSA-N
MW356.56 g/mol
LogP2.21
Rot. Bonds18

About N,N'-bis(7-aminoheptyl)pentanediamide

N,N'-bis(7-aminoheptyl)pentanediamide (PubChem CID 86136288) has the molecular formula C19H40N4O2 and a molecular weight of 356.56 g/mol. Its IUPAC name is N,N'-bis(7-aminoheptyl)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(7-aminoheptyl)pentanediamide
PubChem CID86136288
Molecular FormulaC19H40N4O2
Molecular Weight356.56 g/mol
Exact Mass356.32
IUPAC NameN,N'-bis(7-aminoheptyl)pentanediamide
SMILESNCCCCCCCNC(=O)CCCC(=O)NCCCCCCCN
InChIInChI=1S/C19H40N4O2/c20-14-7-3-1-5-9-16-22-18(24)12-11-13-19(25)23-17-10-6-2-4-8-15-21/h1-17,20-21H2,(H,22,24)(H,23,25)
InChIKeyFZRPTGGPFQCZTR-UHFFFAOYSA-N
XLogP2.21
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 52.21
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(12-aminododecyl)octanediamide
CID 58602052
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(7-aminoheptyl)pentanediamide?
The IUPAC name of N,N'-bis(7-aminoheptyl)pentanediamide (CID 86136288) is N,N'-bis(7-aminoheptyl)pentanediamide.
What is the SMILES notation for N,N'-bis(7-aminoheptyl)pentanediamide?
The canonical SMILES for N,N'-bis(7-aminoheptyl)pentanediamide is NCCCCCCCNC(=O)CCCC(=O)NCCCCCCCN.
What is the InChIKey of N,N'-bis(7-aminoheptyl)pentanediamide?
The InChIKey is FZRPTGGPFQCZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4O2/c20-14-7-3-1-5-9-16-22-18(24)12-11-13-19(25)23-17-10-6-2-4-8-15-21/h1-17,20-21H2,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(7-aminoheptyl)pentanediamide?
N,N'-bis(7-aminoheptyl)pentanediamide has a molecular weight of 356.56 g/mol, XLogP of 2.21, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(7-aminoheptyl)pentanediamide is sourced from PubChem (CID 86136288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).