1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine

C22H35N — CID 59504276

IUPAC1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine
SMILESCCCCCCCCc1ccc(CC2CC=CC2(N)CC)cc1
InChIInChI=1S/C22H35N/c1-3-5-6-7-8-9-11-19-13-15-20(16-14-19)18-21-12-10-17-22(21,23)4-2/h10,13-17,21H,3-9,11-12,18,23H2,1-2H3
InChIKeyRJUZVDQRTFXFBB-UHFFFAOYSA-N
MW313.53 g/mol
LogP5.82
Rot. Bonds10

About 1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine

1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine (PubChem CID 59504276) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is 1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine
PubChem CID59504276
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC Name1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine
SMILESCCCCCCCCc1ccc(CC2CC=CC2(N)CC)cc1
InChIInChI=1S/C22H35N/c1-3-5-6-7-8-9-11-19-13-15-20(16-14-19)18-21-12-10-17-22(21,23)4-2/h10,13-17,21H,3-9,11-12,18,23H2,1-2H3
InChIKeyRJUZVDQRTFXFBB-UHFFFAOYSA-N
XLogP5.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine
CID 59504295
[(1S,2S)-1-amino-2-[(4-octylphenyl)methyl]cyclopentyl]methanol
CID 25256705
1-butyl-4-nonylbenzene
CID 59545302
CID 59759292
CID 59759292
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-decyl-4-[4-(4-octylphenyl)buta-1,3-dienyl]benzene
CID 173328821
(4-nonylphenyl)phosphane;phosphane
CID 174846018
CID 150102508
CID 150102508
2-fluoro-4-pentylaniline
CID 146198864

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine?
The IUPAC name of 1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine (CID 59504276) is 1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine is CCCCCCCCc1ccc(CC2CC=CC2(N)CC)cc1.
What is the InChIKey of 1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine?
The InChIKey is RJUZVDQRTFXFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N/c1-3-5-6-7-8-9-11-19-13-15-20(16-14-19)18-21-12-10-17-22(21,23)4-2/h10,13-17,21H,3-9,11-12,18,23H2,1-2H3.
What are the key properties of 1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine?
1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine has a molecular weight of 313.53 g/mol, XLogP of 5.82, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 59504276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).