N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine

C18H27N — CID 63477593

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(CC)NCC2CC=CCC2)cc1
InChIInChI=1S/C18H27N/c1-3-15-10-12-17(13-11-15)18(4-2)19-14-16-8-6-5-7-9-16/h5-6,10-13,16,18-19H,3-4,7-9,14H2,1-2H3
InChIKeyJFGDAOAFGPSOOJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.65
Rot. Bonds6

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

N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine (PubChem CID 63477593) 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-ethylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine
PubChem CID63477593
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(CC)NCC2CC=CCC2)cc1
InChIInChI=1S/C18H27N/c1-3-15-10-12-17(13-11-15)18(4-2)19-14-16-8-6-5-7-9-16/h5-6,10-13,16,18-19H,3-4,7-9,14H2,1-2H3
InChIKeyJFGDAOAFGPSOOJ-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.65
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-ethylphenyl)ethanamine
CID 43223749
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol
CID 103271372
N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43223359
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785864
N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740417
1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine
CID 55013993
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
(2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 104980641
(2R)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 103924278

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine (CID 63477593) is N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine is CCc1ccc(C(CC)NCC2CC=CCC2)cc1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine?
The InChIKey is JFGDAOAFGPSOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-3-15-10-12-17(13-11-15)18(4-2)19-14-16-8-6-5-7-9-16/h5-6,10-13,16,18-19H,3-4,7-9,14H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.65, 6 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)propan-1-amine is sourced from PubChem (CID 63477593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).