(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine

C16H23N — CID 81363043

IUPAC(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NCC2CC=CCC2)c1
InChIInChI=1S/C16H23N/c1-13-7-6-10-16(11-13)14(2)17-12-15-8-4-3-5-9-15/h3-4,6-7,10-11,14-15,17H,5,8-9,12H2,1-2H3/t14-,15?/m1/s1
InChIKeyOCWPAAILIAQFTG-GICMACPYSA-N
MW229.37 g/mol
LogP4.00
Rot. Bonds4

About (1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine

(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine (PubChem CID 81363043) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine
PubChem CID81363043
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NCC2CC=CCC2)c1
InChIInChI=1S/C16H23N/c1-13-7-6-10-16(11-13)14(2)17-12-15-8-4-3-5-9-15/h3-4,6-7,10-11,14-15,17H,5,8-9,12H2,1-2H3/t14-,15?/m1/s1
InChIKeyOCWPAAILIAQFTG-GICMACPYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.00
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

(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
CID 81364259
N-(cyclohex-3-en-1-ylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 43677090
(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363930
N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43223359
N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
CID 55191785
1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295474
N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine
CID 62091594
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225394
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine
CID 43223749
N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062661

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine (CID 81363043) is (1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine is Cc1cccc([C@@H](C)NCC2CC=CCC2)c1.
What is the InChIKey of (1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine?
The InChIKey is OCWPAAILIAQFTG-GICMACPYSA-N. The full InChI is InChI=1S/C16H23N/c1-13-7-6-10-16(11-13)14(2)17-12-15-8-4-3-5-9-15/h3-4,6-7,10-11,14-15,17H,5,8-9,12H2,1-2H3/t14-,15?/m1/s1.
What are the key properties of (1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine?
(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine has a molecular weight of 229.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81363043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).