(1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine

C18H29N — CID 81385919

IUPAC(1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)N[C@@H](C)C2CCCC2)cc1C
InChIInChI=1S/C18H29N/c1-12-10-14(3)18(11-13(12)2)16(5)19-15(4)17-8-6-7-9-17/h10-11,15-17,19H,6-9H2,1-5H3/t15-,16?/m0/s1
InChIKeyXMUVQRGSZJTZIG-VYRBHSGPSA-N
MW259.44 g/mol
LogP4.84
Rot. Bonds4

About (1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine

(1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine (PubChem CID 81385919) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
PubChem CID81385919
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)N[C@@H](C)C2CCCC2)cc1C
InChIInChI=1S/C18H29N/c1-12-10-14(3)18(11-13(12)2)16(5)19-15(4)17-8-6-7-9-17/h10-11,15-17,19H,6-9H2,1-5H3/t15-,16?/m0/s1
InChIKeyXMUVQRGSZJTZIG-VYRBHSGPSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine
CID 81390923
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 43099010
1-cyclohexyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 62405192
1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
CID 62632992
2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol
CID 81394389
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
CID 81391306
(1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine
CID 81392727
(1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
CID 81396255
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol
CID 107715312

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine (CID 81385919) is (1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine is Cc1cc(C)c(C(C)N[C@@H](C)C2CCCC2)cc1C.
What is the InChIKey of (1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine?
The InChIKey is XMUVQRGSZJTZIG-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H29N/c1-12-10-14(3)18(11-13(12)2)16(5)19-15(4)17-8-6-7-9-17/h10-11,15-17,19H,6-9H2,1-5H3/t15-,16?/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine?
(1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81385919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).