3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide

C11H23N3O — CID 63046447

IUPAC3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
SMILESNCCCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C11H23N3O/c12-6-1-2-7-14-11(15)9-4-3-5-10(13)8-9/h9-10H,1-8,12-13H2,(H,14,15)
InChIKeyIGPOHJPQEFNWFZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.36
Rot. Bonds5

About 3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide

3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide (PubChem CID 63046447) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
PubChem CID63046447
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
SMILESNCCCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C11H23N3O/c12-6-1-2-7-14-11(15)9-4-3-5-10(13)8-9/h9-10H,1-8,12-13H2,(H,14,15)
InChIKeyIGPOHJPQEFNWFZ-UHFFFAOYSA-N
XLogP0.36
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706929
3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852537
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755
3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide
CID 119902026
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide
CID 119861214
3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693905

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide (CID 63046447) is 3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide is NCCCCNC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide?
The InChIKey is IGPOHJPQEFNWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c12-6-1-2-7-14-11(15)9-4-3-5-10(13)8-9/h9-10H,1-8,12-13H2,(H,14,15).
What are the key properties of 3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide?
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63046447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).