3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine

C18H29N — CID 114333391

IUPAC3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine
SMILESCCC1CCC(NCCCCc2ccccc2)C1C
InChIInChI=1S/C18H29N/c1-3-17-12-13-18(15(17)2)19-14-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,15,17-19H,3,7-8,11-14H2,1-2H3
InChIKeySTMBCQXIBMWITE-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.42
Rot. Bonds7

About 3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine

3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine (PubChem CID 114333391) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine
PubChem CID114333391
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine
SMILESCCC1CCC(NCCCCc2ccccc2)C1C
InChIInChI=1S/C18H29N/c1-3-17-12-13-18(15(17)2)19-14-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,15,17-19H,3,7-8,11-14H2,1-2H3
InChIKeySTMBCQXIBMWITE-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

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine
CID 64921989
N-(4-phenylbutyl)piperidin-4-amine
CID 44592823
3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine
CID 64920630
3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64907274
N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine
CID 67990569
2-(3-phenylpropylamino)cyclohexan-1-ol
CID 45358268
N-(4-phenylbutyl)thian-4-amine
CID 115575565
N-(4-phenylbutyl)oxan-4-amine
CID 115651772
(1S,2S,3S,5R)-2,6,6-trimethyl-N-(3-phenylpropyl)bicyclo[3.1.1]heptan-3-amine
CID 141314175
N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide
CID 140580794
2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 81320617

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine?
The IUPAC name of 3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine (CID 114333391) is 3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine is CCC1CCC(NCCCCc2ccccc2)C1C.
What is the InChIKey of 3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine?
The InChIKey is STMBCQXIBMWITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-17-12-13-18(15(17)2)19-14-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,15,17-19H,3,7-8,11-14H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine?
3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-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 3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine is sourced from PubChem (CID 114333391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).