N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine

C15H23N — CID 105108675

IUPACN-ethyl-1-(3-methylphenyl)hex-5-en-3-amine
SMILESC=CCC(CCc1cccc(C)c1)NCC
InChIInChI=1S/C15H23N/c1-4-7-15(16-5-2)11-10-14-9-6-8-13(3)12-14/h4,6,8-9,12,15-16H,1,5,7,10-11H2,2-3H3
InChIKeyJJMXIWXHFQKXRY-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.48
Rot. Bonds7

About N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine

N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine (PubChem CID 105108675) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)hex-5-en-3-amine
PubChem CID105108675
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-ethyl-1-(3-methylphenyl)hex-5-en-3-amine
SMILESC=CCC(CCc1cccc(C)c1)NCC
InChIInChI=1S/C15H23N/c1-4-7-15(16-5-2)11-10-14-9-6-8-13(3)12-14/h4,6,8-9,12,15-16H,1,5,7,10-11H2,2-3H3
InChIKeyJJMXIWXHFQKXRY-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.48
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-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine
CID 105150411
5-(3-methylphenyl)-N-propylpent-1-en-3-amine
CID 105161314
1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105181327
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105158723
5-(3-methylphenyl)pent-1-en-3-ylhydrazine
CID 105318126
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
[1-(3-methylphenyl)-5-phenylpentan-3-yl]hydrazine
CID 105285956
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719
4-(3-methylphenyl)-N-(2-prop-2-enoxyethyl)butan-2-amine
CID 113364661
N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine
CID 103012216
N-ethenyl-7-(3-methylphenyl)heptan-3-amine
CID 142208661
N-[2-(3-methylphenyl)ethyl]but-3-en-2-amine
CID 107906880

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine (CID 105108675) is N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine is C=CCC(CCc1cccc(C)c1)NCC.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine?
The InChIKey is JJMXIWXHFQKXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-7-15(16-5-2)11-10-14-9-6-8-13(3)12-14/h4,6,8-9,12,15-16H,1,5,7,10-11H2,2-3H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine?
N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine has a molecular weight of 217.36 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine is sourced from PubChem (CID 105108675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).