N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride

C12H24ClN3O2 — CID 119290745

IUPACN-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
SMILESCC(=O)NCCCNC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-10(16)14-8-5-9-15-11(17)12(13)6-3-2-4-7-12;/h2-9,13H2,1H3,(H,14,16)(H,15,17);1H
InChIKeySQGXIRJZDYEHJD-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.71
Rot. Bonds5

About N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride

N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride (PubChem CID 119290745) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
PubChem CID119290745
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC NameN-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
SMILESCC(=O)NCCCNC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-10(16)14-8-5-9-15-11(17)12(13)6-3-2-4-7-12;/h2-9,13H2,1H3,(H,14,16)(H,15,17);1H
InChIKeySQGXIRJZDYEHJD-UHFFFAOYSA-N
XLogP0.71
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.71
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

1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119290733
1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride
CID 162369758
1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119322435
1-amino-N-pentylcyclobutane-1-carboxamide
CID 81167514
methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride
CID 119291127
1-amino-N-(3-methylsulfonylpropyl)cyclopentane-1-carboxamide
CID 61036737
1-amino-N-(3-hydroxypropyl)cyclobutane-1-carboxamide
CID 81179934
1-amino-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide;hydrochloride
CID 119279539
1-amino-N-(3-piperidin-1-ylpropyl)cyclopentane-1-carboxamide
CID 60867938
1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
CID 119831267
1-amino-N-(3-amino-3-oxopropyl)cyclohexane-1-carboxamide
CID 43553625
1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
CID 81172040

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride (CID 119290745) is N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride is CC(=O)NCCCNC(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride?
The InChIKey is SQGXIRJZDYEHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-10(16)14-8-5-9-15-11(17)12(13)6-3-2-4-7-12;/h2-9,13H2,1H3,(H,14,16)(H,15,17);1H.
What are the key properties of N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride?
N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119290745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).