cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine

C22H37N — CID 59504295

IUPACcis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine
SMILESCCCCCCCCc1ccc(C[C@@H]2CCC[C@]2(N)CC)cc1
InChIInChI=1S/C22H37N/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/h13-16,21H,3-12,17-18,23H2,1-2H3/t21-,22+/m0/s1
InChIKeyUZWFXDHFGKKOGD-FCHUYYIVSA-N
MW315.55 g/mol
LogP6.04
Rot. Bonds10

About cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine

cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine (PubChem CID 59504295) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine
PubChem CID59504295
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC Namecis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine
SMILESCCCCCCCCc1ccc(C[C@@H]2CCC[C@]2(N)CC)cc1
InChIInChI=1S/C22H37N/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/h13-16,21H,3-12,17-18,23H2,1-2H3/t21-,22+/m0/s1
InChIKeyUZWFXDHFGKKOGD-FCHUYYIVSA-N
XLogP6.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2S)-1-amino-2-[(4-octylphenyl)methyl]cyclopentyl]methanol
CID 25256705
[(1R,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methyloxidanium
CID 163701678
[(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol
CID 71018256
1-ethyl-5-[(4-octylphenyl)methyl]cyclopent-2-en-1-amine
CID 59504276
[1-amino-3-(4-octylphenyl)cyclohexyl]methanol
CID 68937152
CID 59759292
CID 59759292
1-butyl-4-nonylbenzene
CID 59545302
1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine
CID 72735441
4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]-4-[(4-hexylphenyl)methyl]cyclohexyl]phenyl]ethyl]aniline
CID 159333075
CID 57470906
CID 57470906
[(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol
CID 25009740
1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene
CID 57060475

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine (CID 59504295) is cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine is CCCCCCCCc1ccc(C[C@@H]2CCC[C@]2(N)CC)cc1.
What is the InChIKey of cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is UZWFXDHFGKKOGD-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H37N/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/h13-16,21H,3-12,17-18,23H2,1-2H3/t21-,22+/m0/s1.
What are the key properties of cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine?
cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 315.55 g/mol, XLogP of 6.04, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 59504295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).