2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine

C13H28N2 — CID 123551471

IUPAC2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine
SMILESCCCC(=CCCCN)C(CC)CNC
InChIInChI=1S/C13H28N2/c1-4-8-13(9-6-7-10-14)12(5-2)11-15-3/h9,12,15H,4-8,10-11,14H2,1-3H3
InChIKeyJAZOGDTWAGHOIB-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.70
Rot. Bonds9

About 2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine

2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine (PubChem CID 123551471) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine.

Molecular Properties

Compound Name2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine
PubChem CID123551471
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine
SMILESCCCC(=CCCCN)C(CC)CNC
InChIInChI=1S/C13H28N2/c1-4-8-13(9-6-7-10-14)12(5-2)11-15-3/h9,12,15H,4-8,10-11,14H2,1-3H3
InChIKeyJAZOGDTWAGHOIB-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
[(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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine?
The IUPAC name of 2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine (CID 123551471) is 2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine.
What is the SMILES notation for 2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine?
The canonical SMILES for 2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine is CCCC(=CCCCN)C(CC)CNC.
What is the InChIKey of 2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine?
The InChIKey is JAZOGDTWAGHOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-8-13(9-6-7-10-14)12(5-2)11-15-3/h9,12,15H,4-8,10-11,14H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine?
2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine is sourced from PubChem (CID 123551471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).