N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine

C19H29N — CID 106169289

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NCCC2=CCCC2)cc1
InChIInChI=1S/C19H29N/c1-15(2)14-18-8-10-19(11-9-18)16(3)20-13-12-17-6-4-5-7-17/h6,8-11,15-16,20H,4-5,7,12-14H2,1-3H3
InChIKeyKOUHVHUDJHIZCC-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.04
Rot. Bonds7

About N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine

N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 106169289) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID106169289
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NCCC2=CCCC2)cc1
InChIInChI=1S/C19H29N/c1-15(2)14-18-8-10-19(11-9-18)16(3)20-13-12-17-6-4-5-7-17/h6,8-11,15-16,20H,4-5,7,12-14H2,1-3H3
InChIKeyKOUHVHUDJHIZCC-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
N-[2-(cyclopenten-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 106169038
[4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea
CID 103904492
1-(1,3-benzodioxol-5-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 103904485
1-(3-bromo-4-methoxyphenyl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 106170053
N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43103195
N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43110628
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
CID 28620859
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106169878
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
N-[2-(cyclohexen-1-yl)ethyl]-1-(3-nitrophenyl)ethanamine
CID 43078363

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 106169289) is N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine is CC(C)Cc1ccc(C(C)NCCC2=CCCC2)cc1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is KOUHVHUDJHIZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-15(2)14-18-8-10-19(11-9-18)16(3)20-13-12-17-6-4-5-7-17/h6,8-11,15-16,20H,4-5,7,12-14H2,1-3H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 271.45 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 106169289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).