2-benzyl-1-methylcyclopentan-1-amine;hydrochloride

C13H20ClN — CID 3066905

IUPAC2-benzyl-1-methylcyclopentan-1-amine;hydrochloride
SMILESCC1(N)CCCC1Cc1ccccc1.Cl
InChIInChI=1S/C13H19N.ClH/c1-13(14)9-5-8-12(13)10-11-6-3-2-4-7-11;/h2-4,6-7,12H,5,8-10,14H2,1H3;1H
InChIKeyPSSVWCLGCDPLCE-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.17
Rot. Bonds2

About 2-benzyl-1-methylcyclopentan-1-amine;hydrochloride

2-benzyl-1-methylcyclopentan-1-amine;hydrochloride (PubChem CID 3066905) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 2-benzyl-1-methylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-benzyl-1-methylcyclopentan-1-amine;hydrochloride
PubChem CID3066905
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name2-benzyl-1-methylcyclopentan-1-amine;hydrochloride
SMILESCC1(N)CCCC1Cc1ccccc1.Cl
InChIInChI=1S/C13H19N.ClH/c1-13(14)9-5-8-12(13)10-11-6-3-2-4-7-11;/h2-4,6-7,12H,5,8-10,14H2,1H3;1H
InChIKeyPSSVWCLGCDPLCE-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-methylcyclopentan-1-amine;hydrochloride?
The IUPAC name of 2-benzyl-1-methylcyclopentan-1-amine;hydrochloride (CID 3066905) is 2-benzyl-1-methylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 2-benzyl-1-methylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for 2-benzyl-1-methylcyclopentan-1-amine;hydrochloride is CC1(N)CCCC1Cc1ccccc1.Cl.
What is the InChIKey of 2-benzyl-1-methylcyclopentan-1-amine;hydrochloride?
The InChIKey is PSSVWCLGCDPLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-13(14)9-5-8-12(13)10-11-6-3-2-4-7-11;/h2-4,6-7,12H,5,8-10,14H2,1H3;1H.
What are the key properties of 2-benzyl-1-methylcyclopentan-1-amine;hydrochloride?
2-benzyl-1-methylcyclopentan-1-amine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-methylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 3066905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).