3-ethyl-N-methylhex-4-en-1-amine

C9H19N — CID 90905254

IUPAC3-ethyl-N-methylhex-4-en-1-amine
SMILESCC=CC(CC)CCNC
InChIInChI=1S/C9H19N/c1-4-6-9(5-2)7-8-10-3/h4,6,9-10H,5,7-8H2,1-3H3
InChIKeyIDVWXIRWOHLKEB-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.20
Rot. Bonds5

About 3-ethyl-N-methylhex-4-en-1-amine

3-ethyl-N-methylhex-4-en-1-amine (PubChem CID 90905254) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3-ethyl-N-methylhex-4-en-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methylhex-4-en-1-amine
PubChem CID90905254
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3-ethyl-N-methylhex-4-en-1-amine
SMILESCC=CC(CC)CCNC
InChIInChI=1S/C9H19N/c1-4-6-9(5-2)7-8-10-3/h4,6,9-10H,5,7-8H2,1-3H3
InChIKeyIDVWXIRWOHLKEB-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.20
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

4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
(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
{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine
CID 123264703
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 123382807
5-fluoro-N,8-dimethylnon-5-en-2-amine
CID 123595869
(Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine
CID 129210432

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methylhex-4-en-1-amine?
The IUPAC name of 3-ethyl-N-methylhex-4-en-1-amine (CID 90905254) is 3-ethyl-N-methylhex-4-en-1-amine.
What is the SMILES notation for 3-ethyl-N-methylhex-4-en-1-amine?
The canonical SMILES for 3-ethyl-N-methylhex-4-en-1-amine is CC=CC(CC)CCNC.
What is the InChIKey of 3-ethyl-N-methylhex-4-en-1-amine?
The InChIKey is IDVWXIRWOHLKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-6-9(5-2)7-8-10-3/h4,6,9-10H,5,7-8H2,1-3H3.
What are the key properties of 3-ethyl-N-methylhex-4-en-1-amine?
3-ethyl-N-methylhex-4-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methylhex-4-en-1-amine is sourced from PubChem (CID 90905254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).