N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride

C11H23ClN2O — CID 131134215

IUPACN-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCC1CCCC(C(=O)N[C@@H](C)CN)C1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-8-4-3-5-10(6-8)11(14)13-9(2)7-12;/h8-10H,3-7,12H2,1-2H3,(H,13,14);1H/t8?,9-,10?;/m0./s1
InChIKeyRANWLMXUPDMCGL-WUWPOBJPSA-N
MW234.77 g/mol
LogP1.70
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 131134215) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride
PubChem CID131134215
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCC1CCCC(C(=O)N[C@@H](C)CN)C1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-8-4-3-5-10(6-8)11(14)13-9(2)7-12;/h8-10H,3-7,12H2,1-2H3,(H,13,14);1H/t8?,9-,10?;/m0./s1
InChIKeyRANWLMXUPDMCGL-WUWPOBJPSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2921928
N-butylcyclohexanecarboxamide
CID 3544722
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CID 800131
N-[2-(cyclohexylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 800535
N-cyclohexylcyclohexanecarboxamide
CID 344739
2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide
CID 2931883
(R)-2-Amino-N-(cyclohexylmethyl)-3-methylbutanamide
CID 54757478
3-cyclohexyl-N-propan-2-ylpropanamide
CID 4144742
1-amino-N-butylcyclohexane-1-carboxamide
CID 24690155
1-amino-N-propylcyclohexane-1-carboxamide
CID 24701829
1-amino-N-methylcyclohexane-1-carboxamide hydrochloride
CID 45791484
4-amino-N-methylcyclohexane-1-carboxamide hydrochloride
CID 47002288

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride (CID 131134215) is N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride is CC1CCCC(C(=O)N[C@@H](C)CN)C1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is RANWLMXUPDMCGL-WUWPOBJPSA-N. The full InChI is InChI=1S/C11H22N2O.ClH/c1-8-4-3-5-10(6-8)11(14)13-9(2)7-12;/h8-10H,3-7,12H2,1-2H3,(H,13,14);1H/t8?,9-,10?;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 234.77 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 131134215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).