N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine

C18H27N — CID 43223359

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCC2CC=CCC2)cc1
InChIInChI=1S/C18H27N/c1-14(2)17-9-11-18(12-10-17)15(3)19-13-16-7-5-4-6-8-16/h4-5,9-12,14-16,19H,6-8,13H2,1-3H3
InChIKeyZYINFMJGYLBYMD-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.82
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine

N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 43223359) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID43223359
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCC2CC=CCC2)cc1
InChIInChI=1S/C18H27N/c1-14(2)17-9-11-18(12-10-17)15(3)19-13-16-7-5-4-6-8-16/h4-5,9-12,14-16,19H,6-8,13H2,1-3H3
InChIKeyZYINFMJGYLBYMD-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.82
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
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine
CID 43223749
(1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine
CID 81405941
N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine
CID 62091594
(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363043
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
N-(cyclohex-3-en-1-ylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 43677090
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine
CID 63477593
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271482
1-(4-bromo-2-fluorophenyl)-N-(cyclohex-3-en-1-ylmethyl)ethanamine
CID 82964326

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine (CID 43223359) is N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(C)NCC2CC=CCC2)cc1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is ZYINFMJGYLBYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14(2)17-9-11-18(12-10-17)15(3)19-13-16-7-5-4-6-8-16/h4-5,9-12,14-16,19H,6-8,13H2,1-3H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 257.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 43223359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).