N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine

C16H25N — CID 62724999

IUPACN-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(C)cc2)CCCC1
InChIInChI=1S/C16H25N/c1-3-17-13-16(10-4-5-11-16)12-15-8-6-14(2)7-9-15/h6-9,17H,3-5,10-13H2,1-2H3
InChIKeyWGKKFYLEXAPMCH-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.71
Rot. Bonds5

About N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine

N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine (PubChem CID 62724999) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
PubChem CID62724999
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(C)cc2)CCCC1
InChIInChI=1S/C16H25N/c1-3-17-13-16(10-4-5-11-16)12-15-8-6-14(2)7-9-15/h6-9,17H,3-5,10-13H2,1-2H3
InChIKeyWGKKFYLEXAPMCH-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine (CID 62724999) is N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine is CCNCC1(Cc2ccc(C)cc2)CCCC1.
What is the InChIKey of N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine?
The InChIKey is WGKKFYLEXAPMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-17-13-16(10-4-5-11-16)12-15-8-6-14(2)7-9-15/h6-9,17H,3-5,10-13H2,1-2H3.
What are the key properties of N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine?
N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine has a molecular weight of 231.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 62724999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).