4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide

C12H23N3O2 — CID 106235907

IUPAC4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide
SMILESNC(=O)CCCCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C12H23N3O2/c13-10-6-4-9(5-7-10)12(17)15-8-2-1-3-11(14)16/h9-10H,1-8,13H2,(H2,14,16)(H,15,17)
InChIKeyLOCAKNBQCDVKGA-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.28
Rot. Bonds6

About 4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide

4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide (PubChem CID 106235907) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide
PubChem CID106235907
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide
SMILESNC(=O)CCCCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C12H23N3O2/c13-10-6-4-9(5-7-10)12(17)15-8-2-1-3-11(14)16/h9-10H,1-8,13H2,(H2,14,16)(H,15,17)
InChIKeyLOCAKNBQCDVKGA-UHFFFAOYSA-N
XLogP0.28
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(5-amino-5-oxopentyl)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

4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162
4-amino-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106221983
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310576
N-(5-amino-5-oxopentyl)pyrrolidine-3-carboxamide
CID 106235636
4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 114137006
N-hex-5-ynylcyclopropanecarboxamide
CID 103758008
4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63227240
N-(5-amino-5-hydroxyiminopentyl)cyclopentanecarboxamide
CID 77036807
3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide
CID 70974496
4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 60846570

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide (CID 106235907) is 4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide is NC(=O)CCCCNC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide?
The InChIKey is LOCAKNBQCDVKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-10-6-4-9(5-7-10)12(17)15-8-2-1-3-11(14)16/h9-10H,1-8,13H2,(H2,14,16)(H,15,17).
What are the key properties of 4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide?
4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106235907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).