[(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride

C15H23ClN2O2 — CID 129278977

IUPAC[(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride
SMILESCC1(N(Cc2ccccc2)C(=O)O)CCC[C@@H](N)C1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-15(9-5-8-13(16)10-15)17(14(18)19)11-12-6-3-2-4-7-12;/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,18,19);1H/t13-,15?;/m1./s1
InChIKeyCIJSVOZHSNBGOT-LKNSGBSQSA-N
MW298.81 g/mol
LogP3.25
Rot. Bonds3

About [(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride

[(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride (PubChem CID 129278977) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is [(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride.

Molecular Properties

Compound Name[(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride
PubChem CID129278977
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name[(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride
SMILESCC1(N(Cc2ccccc2)C(=O)O)CCC[C@@H](N)C1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-15(9-5-8-13(16)10-15)17(14(18)19)11-12-6-3-2-4-7-12;/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,18,19);1H/t13-,15?;/m1./s1
InChIKeyCIJSVOZHSNBGOT-LKNSGBSQSA-N
XLogP3.25
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride?
The IUPAC name of [(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride (CID 129278977) is [(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride.
What is the SMILES notation for [(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride?
The canonical SMILES for [(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride is CC1(N(Cc2ccccc2)C(=O)O)CCC[C@@H](N)C1.Cl.
What is the InChIKey of [(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride?
The InChIKey is CIJSVOZHSNBGOT-LKNSGBSQSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-15(9-5-8-13(16)10-15)17(14(18)19)11-12-6-3-2-4-7-12;/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,18,19);1H/t13-,15?;/m1./s1.
What are the key properties of [(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride?
[(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride is sourced from PubChem (CID 129278977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).