(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine

C19H31N — CID 81386295

IUPAC(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine
SMILESCC(N[C@@H](C)C1CCCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31N/c1-14(16-8-6-7-9-16)20-15(2)17-10-12-18(13-11-17)19(3,4)5/h10-16,20H,6-9H2,1-5H3/t14-,15?/m0/s1
InChIKeyMVWFDCLPTLCDGE-MLCCFXAWSA-N
MW273.46 g/mol
LogP5.21
Rot. Bonds4

About (1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine

(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine (PubChem CID 81386295) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is (1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine
PubChem CID81386295
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine
SMILESCC(N[C@@H](C)C1CCCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31N/c1-14(16-8-6-7-9-16)20-15(2)17-10-12-18(13-11-17)19(3,4)5/h10-16,20H,6-9H2,1-5H3/t14-,15?/m0/s1
InChIKeyMVWFDCLPTLCDGE-MLCCFXAWSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 63445435
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
N-[1-(4-tert-butylphenyl)ethyl]cycloheptanamine
CID 43095672
1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine
CID 43783226
(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine
CID 81389755
1-cyclopentyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]ethanamine
CID 63444402
(1S)-1-cyclopentyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81386200
1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine?
The IUPAC name of (1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine (CID 81386295) is (1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine.
What is the SMILES notation for (1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine?
The canonical SMILES for (1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine is CC(N[C@@H](C)C1CCCC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine?
The InChIKey is MVWFDCLPTLCDGE-MLCCFXAWSA-N. The full InChI is InChI=1S/C19H31N/c1-14(16-8-6-7-9-16)20-15(2)17-10-12-18(13-11-17)19(3,4)5/h10-16,20H,6-9H2,1-5H3/t14-,15?/m0/s1.
What are the key properties of (1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine?
(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine has a molecular weight of 273.46 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine is sourced from PubChem (CID 81386295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).