1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine

C20H31N — CID 116661714

IUPAC1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C20H31N/c1-5-21-19(13-18-9-7-6-8-10-18)14-20-16(3)11-15(2)12-17(20)4/h9,11-12,19,21H,5-8,10,13-14H2,1-4H3
InChIKeyXVFIPOOOZAENFC-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.02
Rot. Bonds6

About 1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine

1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine (PubChem CID 116661714) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine
PubChem CID116661714
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C20H31N/c1-5-21-19(13-18-9-7-6-8-10-18)14-20-16(3)11-15(2)12-17(20)4/h9,11-12,19,21H,5-8,10,13-14H2,1-4H3
InChIKeyXVFIPOOOZAENFC-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 116661927
1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661135
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 116661892
1-(cyclohexen-1-yl)-N-ethylundecan-2-amine
CID 116661766
1-(cyclohexen-1-yl)-3-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661708
1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine
CID 116661870
1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine
CID 116661749
1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661880
1-(3-bromo-4-methoxyphenyl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine
CID 116661813
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine
CID 116661823
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine
CID 116661822
N-[cycloocten-1-yl-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106656476

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine (CID 116661714) is 1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine is CCNC(CC1=CCCCC1)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The InChIKey is XVFIPOOOZAENFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-5-21-19(13-18-9-7-6-8-10-18)14-20-16(3)11-15(2)12-17(20)4/h9,11-12,19,21H,5-8,10,13-14H2,1-4H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine has a molecular weight of 285.48 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 116661714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).