N-benzyl-1-methylcyclopentan-1-amine;hydrochloride

C13H20ClN — CID 171397400

IUPACN-benzyl-1-methylcyclopentan-1-amine;hydrochloride
SMILESCC1(NCc2ccccc2)CCCC1.Cl
InChIInChI=1S/C13H19N.ClH/c1-13(9-5-6-10-13)14-11-12-7-3-2-4-8-12;/h2-4,7-8,14H,5-6,9-11H2,1H3;1H
InChIKeyRNXYCSFPWSLUBZ-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.53
Rot. Bonds3

About N-benzyl-1-methylcyclopentan-1-amine;hydrochloride

N-benzyl-1-methylcyclopentan-1-amine;hydrochloride (PubChem CID 171397400) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is N-benzyl-1-methylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-1-methylcyclopentan-1-amine;hydrochloride
PubChem CID171397400
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC NameN-benzyl-1-methylcyclopentan-1-amine;hydrochloride
SMILESCC1(NCc2ccccc2)CCCC1.Cl
InChIInChI=1S/C13H19N.ClH/c1-13(9-5-6-10-13)14-11-12-7-3-2-4-8-12;/h2-4,7-8,14H,5-6,9-11H2,1H3;1H
InChIKeyRNXYCSFPWSLUBZ-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 61365748
N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine
CID 64687047
4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine
CID 115758046
[1-(benzylamino)-2,2-dimethylcyclohexyl]methanol
CID 79852336
3-[[(1-methylcyclobutyl)amino]methyl]benzoic acid
CID 103264825
N-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine
CID 61365185
2-[2-[[(1-methylcyclohexyl)amino]methyl]phenyl]acetic acid
CID 115461860
N-benzyl-1-ethylcyclopropan-1-amine
CID 130847049
N-benzyl-1-phenylcyclohexan-1-amine
CID 76851721
1-methyl-N-(naphthalen-1-ylmethyl)cyclopentan-1-amine
CID 61363824
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 63454373
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine
CID 115765833

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-benzyl-1-methylcyclopentan-1-amine;hydrochloride (CID 171397400) is N-benzyl-1-methylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-benzyl-1-methylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-benzyl-1-methylcyclopentan-1-amine;hydrochloride is CC1(NCc2ccccc2)CCCC1.Cl.
What is the InChIKey of N-benzyl-1-methylcyclopentan-1-amine;hydrochloride?
The InChIKey is RNXYCSFPWSLUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-13(9-5-6-10-13)14-11-12-7-3-2-4-8-12;/h2-4,7-8,14H,5-6,9-11H2,1H3;1H.
What are the key properties of N-benzyl-1-methylcyclopentan-1-amine;hydrochloride?
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 171397400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).