cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine

C16H25N — CID 58193955

IUPACcis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
SMILESCC[C@H]1CCCC[C@@H]1N[C@@H](C)c1ccccc1
InChIInChI=1S/C16H25N/c1-3-14-9-7-8-12-16(14)17-13(2)15-10-5-4-6-11-15/h4-6,10-11,13-14,16-17H,3,7-9,12H2,1-2H3/t13-,14-,16-/m0/s1
InChIKeyFWZVVDOFZQMNKT-DZKIICNBSA-N
MW231.38 g/mol
LogP4.31
Rot. Bonds4

About cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine

cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine (PubChem CID 58193955) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
PubChem CID58193955
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Namecis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
SMILESCC[C@H]1CCCC[C@@H]1N[C@@H](C)c1ccccc1
InChIInChI=1S/C16H25N/c1-3-14-9-7-8-12-16(14)17-13(2)15-10-5-4-6-11-15/h4-6,10-11,13-14,16-17H,3,7-9,12H2,1-2H3/t13-,14-,16-/m0/s1
InChIKeyFWZVVDOFZQMNKT-DZKIICNBSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine;trans-ethyl (1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclohexane-1-carboxylate
CID 159534838
2-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 81407298
3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol
CID 43709481
2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364942
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
2-ethyl-N-[(1R)-1-pyridin-3-ylethyl]cyclopentan-1-amine
CID 104865522
2-ethyl-N-[1-(2-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43709448
cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 10988624
2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile
CID 43784266
2-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 106209280
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine?
The IUPAC name of cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine (CID 58193955) is cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine is CC[C@H]1CCCC[C@@H]1N[C@@H](C)c1ccccc1.
What is the InChIKey of cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine?
The InChIKey is FWZVVDOFZQMNKT-DZKIICNBSA-N. The full InChI is InChI=1S/C16H25N/c1-3-14-9-7-8-12-16(14)17-13(2)15-10-5-4-6-11-15/h4-6,10-11,13-14,16-17H,3,7-9,12H2,1-2H3/t13-,14-,16-/m0/s1.
What are the key properties of cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine?
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine is sourced from PubChem (CID 58193955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).