N-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine

C20H27N — CID 63509405

IUPACN-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cccc3ccccc23)CCCC1
InChIInChI=1S/C20H27N/c1-2-14-21-16-20(12-5-6-13-20)15-18-10-7-9-17-8-3-4-11-19(17)18/h3-4,7-11,21H,2,5-6,12-16H2,1H3
InChIKeyCCWSRSJNWFDYNT-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.94
Rot. Bonds6

About N-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine

N-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 63509405) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine
PubChem CID63509405
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cccc3ccccc23)CCCC1
InChIInChI=1S/C20H27N/c1-2-14-21-16-20(12-5-6-13-20)15-18-10-7-9-17-8-3-4-11-19(17)18/h3-4,7-11,21H,2,5-6,12-16H2,1H3
InChIKeyCCWSRSJNWFDYNT-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 102858764
[1-(naphthalen-1-ylmethyl)cycloheptyl]methanamine
CID 65391703
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 102858970
N-[[1-[(2,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194883
N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 106869506
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 105374909
N-[(1-methylcyclopentyl)methyl]-1-naphthalen-1-ylmethanamine
CID 63822202
N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62723981
N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62724802
N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62726182
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 55195471

Frequently Asked Questions

What is the IUPAC name of N-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine (CID 63509405) is N-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine is CCCNCC1(Cc2cccc3ccccc23)CCCC1.
What is the InChIKey of N-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is CCWSRSJNWFDYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-2-14-21-16-20(12-5-6-13-20)15-18-10-7-9-17-8-3-4-11-19(17)18/h3-4,7-11,21H,2,5-6,12-16H2,1H3.
What are the key properties of N-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine?
N-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(naphthalen-1-ylmethyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 63509405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).