2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine

C16H21N3 — CID 43734309

IUPAC2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1ccccc1CNC1CCCC1n1ccnc1
InChIInChI=1S/C16H21N3/c1-13-5-2-3-6-14(13)11-18-15-7-4-8-16(15)19-10-9-17-12-19/h2-3,5-6,9-10,12,15-16,18H,4,7-8,11H2,1H3
InChIKeyGSSHTIASCCPIIH-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.07
Rot. Bonds4

About 2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine

2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine (PubChem CID 43734309) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
PubChem CID43734309
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1ccccc1CNC1CCCC1n1ccnc1
InChIInChI=1S/C16H21N3/c1-13-5-2-3-6-14(13)11-18-15-7-4-8-16(15)19-10-9-17-12-19/h2-3,5-6,9-10,12,15-16,18H,4,7-8,11H2,1H3
InChIKeyGSSHTIASCCPIIH-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine (CID 43734309) is 2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine is Cc1ccccc1CNC1CCCC1n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is GSSHTIASCCPIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-5-2-3-6-14(13)11-18-15-7-4-8-16(15)19-10-9-17-12-19/h2-3,5-6,9-10,12,15-16,18H,4,7-8,11H2,1H3.
What are the key properties of 2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine?
2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 43734309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).