1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine

C18H29N — CID 65412583

IUPAC1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine
SMILESCCC1CCC(C(CCCc2ccccc2)NC)C1
InChIInChI=1S/C18H29N/c1-3-15-12-13-17(14-15)18(19-2)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,15,17-19H,3,7,10-14H2,1-2H3
InChIKeyJHOBQBKSRDZACQ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.42
Rot. Bonds7

About 1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine

1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine (PubChem CID 65412583) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine
PubChem CID65412583
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine
SMILESCCC1CCC(C(CCCc2ccccc2)NC)C1
InChIInChI=1S/C18H29N/c1-3-15-12-13-17(14-15)18(19-2)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,15,17-19H,3,7,10-14H2,1-2H3
InChIKeyJHOBQBKSRDZACQ-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine
CID 65394984
N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine
CID 105139837
1-(3-ethylcyclopentyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 65411999
N-ethyl-1-(3-ethylcyclopentyl)-2-phenylethanamine
CID 65412003
[1-(4-ethylcyclohexyl)-3-phenylpropyl]hydrazine
CID 105205691
1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine
CID 63415913
1-cyclohexyl-N-methyl-6-phenylhexan-3-amine
CID 115849338
1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine
CID 116722293
1-(3-ethylcyclopentyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65411989
1-(4-ethylcyclohexyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105155309
4-cyclopropyl-N-methyl-1-phenylpentan-3-amine
CID 115794259
N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine
CID 65334608

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine?
The IUPAC name of 1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine (CID 65412583) is 1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine?
The canonical SMILES for 1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine is CCC1CCC(C(CCCc2ccccc2)NC)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine?
The InChIKey is JHOBQBKSRDZACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-15-12-13-17(14-15)18(19-2)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,15,17-19H,3,7,10-14H2,1-2H3.
What are the key properties of 1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine?
1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine is sourced from PubChem (CID 65412583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).