3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride

C12H23ClN2O — CID 119793621

IUPAC3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride
SMILESC=CCC(C)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-3-5-9(2)14-12(15)10-6-4-7-11(13)8-10;/h3,9-11H,1,4-8,13H2,2H3,(H,14,15);1H
InChIKeyKEBCCQDHBMSMCB-UHFFFAOYSA-N
MW246.78 g/mol
LogP2.01
Rot. Bonds4

About 3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride

3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119793621) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119793621
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride
SMILESC=CCC(C)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-3-5-9(2)14-12(15)10-6-4-7-11(13)8-10;/h3,9-11H,1,4-8,13H2,2H3,(H,14,15);1H
InChIKeyKEBCCQDHBMSMCB-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide
CID 115739612
N-pent-4-en-2-ylcyclopropanecarboxamide
CID 115631347
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid
CID 65286189
methyl (2S)-2-[(3-aminocyclohexanecarbonyl)amino]propanoate
CID 63044300
2-[(3-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 63045913
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide
CID 63044483
(2S,3S)-2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoic acid
CID 63044886
3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119740525
3-amino-N-(1-ethylsulfanylpropan-2-yl)cyclopentane-1-carboxamide
CID 115739907
3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119722765
ethyl 2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoate
CID 119808262

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride (CID 119793621) is 3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride is C=CCC(C)NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is KEBCCQDHBMSMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-3-5-9(2)14-12(15)10-6-4-7-11(13)8-10;/h3,9-11H,1,4-8,13H2,2H3,(H,14,15);1H.
What are the key properties of 3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride?
3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119793621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).