N-(1,2-diaminoethyl)heptanamide

C9H21N3O — CID 164724851

IUPACN-(1,2-diaminoethyl)heptanamide
SMILESCCCCCCC(=O)NC(N)CN
InChIInChI=1S/C9H21N3O/c1-2-3-4-5-6-9(13)12-8(11)7-10/h8H,2-7,10-11H2,1H3,(H,12,13)
InChIKeyPMYZUPGHMIIUAT-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.32
Rot. Bonds7

About N-(1,2-diaminoethyl)heptanamide

N-(1,2-diaminoethyl)heptanamide (PubChem CID 164724851) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N-(1,2-diaminoethyl)heptanamide.

Molecular Properties

Compound NameN-(1,2-diaminoethyl)heptanamide
PubChem CID164724851
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN-(1,2-diaminoethyl)heptanamide
SMILESCCCCCCC(=O)NC(N)CN
InChIInChI=1S/C9H21N3O/c1-2-3-4-5-6-9(13)12-8(11)7-10/h8H,2-7,10-11H2,1H3,(H,12,13)
InChIKeyPMYZUPGHMIIUAT-UHFFFAOYSA-N
XLogP0.32
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1,2-diaminoethyl)heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride
CID 175045491
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
3-amino-2-(hexadecanoylamino)propanoic acid
CID 155315524
N-(4-aminobutan-2-yl)octanamide
CID 62087208
N-pentan-3-yldocosanamide
CID 123339332
N-[4-amino-1-(octadecanoylamino)butyl]octadecanamide
CID 141044961
N-[3-amino-1-(hexylamino)-1-oxopropan-2-yl]heptanamide
CID 167356517
N-pentan-2-ylundecanamide
CID 173258559
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide
CID 18787747
N-(6-aminohexan-2-yl)octanamide
CID 123172105
N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide
CID 87974020

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diaminoethyl)heptanamide?
The IUPAC name of N-(1,2-diaminoethyl)heptanamide (CID 164724851) is N-(1,2-diaminoethyl)heptanamide.
What is the SMILES notation for N-(1,2-diaminoethyl)heptanamide?
The canonical SMILES for N-(1,2-diaminoethyl)heptanamide is CCCCCCC(=O)NC(N)CN.
What is the InChIKey of N-(1,2-diaminoethyl)heptanamide?
The InChIKey is PMYZUPGHMIIUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-2-3-4-5-6-9(13)12-8(11)7-10/h8H,2-7,10-11H2,1H3,(H,12,13).
What are the key properties of N-(1,2-diaminoethyl)heptanamide?
N-(1,2-diaminoethyl)heptanamide has a molecular weight of 187.29 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diaminoethyl)heptanamide is sourced from PubChem (CID 164724851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).