N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine

C17H25N — CID 43223749

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCC2CC=CCC2)cc1
InChIInChI=1S/C17H25N/c1-3-15-9-11-17(12-10-15)14(2)18-13-16-7-5-4-6-8-16/h4-5,9-12,14,16,18H,3,6-8,13H2,1-2H3
InChIKeySUCHUWJCHVSFJQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.26
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine

N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine (PubChem CID 43223749) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine
PubChem CID43223749
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCC2CC=CCC2)cc1
InChIInChI=1S/C17H25N/c1-3-15-9-11-17(12-10-15)14(2)18-13-16-7-5-4-6-8-16/h4-5,9-12,14,16,18H,3,6-8,13H2,1-2H3
InChIKeySUCHUWJCHVSFJQ-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.26
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

N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43223359
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine
CID 63477593
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
(1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine
CID 81405941
N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 63452140
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
1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584060
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 64928037
N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
CID 63450481
N-(cyclohex-3-en-1-ylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 43677090

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine (CID 43223749) is N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(C)NCC2CC=CCC2)cc1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine?
The InChIKey is SUCHUWJCHVSFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-15-9-11-17(12-10-15)14(2)18-13-16-7-5-4-6-8-16/h4-5,9-12,14,16,18H,3,6-8,13H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine?
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine has a molecular weight of 243.39 g/mol, XLogP of 4.26, 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-ethylphenyl)ethanamine is sourced from PubChem (CID 43223749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).