2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine

C11H21N — CID 123504058

IUPAC2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine
SMILESC=C(C(C)=CC)C(CC)CNC
InChIInChI=1S/C11H21N/c1-6-9(3)10(4)11(7-2)8-12-5/h6,11-12H,4,7-8H2,1-3,5H3
InChIKeyBCFAWLPKHZGTNF-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.75
Rot. Bonds5

About 2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine

2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine (PubChem CID 123504058) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine.

Molecular Properties

Compound Name2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine
PubChem CID123504058
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine
SMILESC=C(C(C)=CC)C(CC)CNC
InChIInChI=1S/C11H21N/c1-6-9(3)10(4)11(7-2)8-12-5/h6,11-12H,4,7-8H2,1-3,5H3
InChIKeyBCFAWLPKHZGTNF-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3,7-Dimethyloct-6-en-1-amine
CID 3016807
N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
CID 2855350
4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482
{[(1R)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798572
[(2,4-Dimethylcyclohex-3-en-1-yl)methyl](methyl)amine
CID 177798578
{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730
4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
CID 123263201
7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine
CID 123264703

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine?
The IUPAC name of 2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine (CID 123504058) is 2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine.
What is the SMILES notation for 2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine?
The canonical SMILES for 2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine is C=C(C(C)=CC)C(CC)CNC.
What is the InChIKey of 2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine?
The InChIKey is BCFAWLPKHZGTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-6-9(3)10(4)11(7-2)8-12-5/h6,11-12H,4,7-8H2,1-3,5H3.
What are the key properties of 2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine?
2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,4-dimethyl-3-methylidenehex-4-en-1-amine is sourced from PubChem (CID 123504058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).