N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine

C18H29N — CID 116544556

IUPACN-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)C2CCC(C)C2)c1
InChIInChI=1S/C18H29N/c1-4-7-15-8-6-9-16(13-15)18(19-5-2)17-11-10-14(3)12-17/h6,8-9,13-14,17-19H,4-5,7,10-12H2,1-3H3
InChIKeyFUKQXBLVRDBEBA-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.73
Rot. Bonds6

About N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine

N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine (PubChem CID 116544556) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
PubChem CID116544556
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)C2CCC(C)C2)c1
InChIInChI=1S/C18H29N/c1-4-7-15-8-6-9-16(13-15)18(19-5-2)17-11-10-14(3)12-17/h6,8-9,13-14,17-19H,4-5,7,10-12H2,1-3H3
InChIKeyFUKQXBLVRDBEBA-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544174
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415595
N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544173
N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65412962
N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine
CID 105050218
N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65414596
N-[(3-methylcyclopentyl)-quinolin-7-ylmethyl]ethanamine
CID 81231066
N-[(3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 64730507
[cyclopentyl-(3-propylphenyl)methyl]hydrazine
CID 105204459
N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 64739441

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine (CID 116544556) is N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine is CCCc1cccc(C(NCC)C2CCC(C)C2)c1.
What is the InChIKey of N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine?
The InChIKey is FUKQXBLVRDBEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-7-15-8-6-9-16(13-15)18(19-5-2)17-11-10-14(3)12-17/h6,8-9,13-14,17-19H,4-5,7,10-12H2,1-3H3.
What are the key properties of N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine?
N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 116544556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).