3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide

C13H23N3O2 — CID 79401214

IUPAC3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCC(=O)NC2CC2)C1
InChIInChI=1S/C13H23N3O2/c14-10-3-1-2-9(8-10)13(18)15-7-6-12(17)16-11-4-5-11/h9-11H,1-8,14H2,(H,15,18)(H,16,17)
InChIKeyWCEKMENZAYQEHM-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.29
Rot. Bonds5

About 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide

3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide (PubChem CID 79401214) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide
PubChem CID79401214
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCC(=O)NC2CC2)C1
InChIInChI=1S/C13H23N3O2/c14-10-3-1-2-9(8-10)13(18)15-7-6-12(17)16-11-4-5-11/h9-11H,1-8,14H2,(H,15,18)(H,16,17)
InChIKeyWCEKMENZAYQEHM-UHFFFAOYSA-N
XLogP0.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide 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

3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119741718
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 79395809
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66005543
3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
CID 63043224
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide (CID 79401214) is 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCCC(=O)NC2CC2)C1.
What is the InChIKey of 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide?
The InChIKey is WCEKMENZAYQEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-10-3-1-2-9(8-10)13(18)15-7-6-12(17)16-11-4-5-11/h9-11H,1-8,14H2,(H,15,18)(H,16,17).
What are the key properties of 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide?
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79401214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).