3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine

C16H25N — CID 81360857

IUPAC3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
SMILESCCC1CCC(N[C@@H](C)c2cccc(C)c2)C1
InChIInChI=1S/C16H25N/c1-4-14-8-9-16(11-14)17-13(3)15-7-5-6-12(2)10-15/h5-7,10,13-14,16-17H,4,8-9,11H2,1-3H3/t13-,14?,16?/m0/s1
InChIKeyLBKUKHAKXMCADK-HLIUYOAVSA-N
MW231.38 g/mol
LogP4.22
Rot. Bonds4

About 3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine

3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine (PubChem CID 81360857) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
PubChem CID81360857
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
SMILESCCC1CCC(N[C@@H](C)c2cccc(C)c2)C1
InChIInChI=1S/C16H25N/c1-4-14-8-9-16(11-14)17-13(3)15-7-5-6-12(2)10-15/h5-7,10,13-14,16-17H,4,8-9,11H2,1-3H3/t13-,14?,16?/m0/s1
InChIKeyLBKUKHAKXMCADK-HLIUYOAVSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
CID 55191785
3-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 81349259
N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81364403
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
N-[(1S)-1-(3-methylphenyl)ethyl]-2-propyloxan-4-amine
CID 81364604
3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile
CID 61466987
3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 81405604
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81365963
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 64774200
(3-ethylcyclopentyl)-(3-methylphenyl)methanamine
CID 65410214
N-[(1S)-1-(3-methylphenyl)ethyl]-1-oxothian-4-amine
CID 81364522

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine (CID 81360857) is 3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine is CCC1CCC(N[C@@H](C)c2cccc(C)c2)C1.
What is the InChIKey of 3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine?
The InChIKey is LBKUKHAKXMCADK-HLIUYOAVSA-N. The full InChI is InChI=1S/C16H25N/c1-4-14-8-9-16(11-14)17-13(3)15-7-5-6-12(2)10-15/h5-7,10,13-14,16-17H,4,8-9,11H2,1-3H3/t13-,14?,16?/m0/s1.
What are the key properties of 3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine?
3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 81360857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).