3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine

C9H18N2 — CID 123727003

IUPAC3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine
SMILESC=CC(=CCN)CCN(C)C
InChIInChI=1S/C9H18N2/c1-4-9(5-7-10)6-8-11(2)3/h4-5H,1,6-8,10H2,2-3H3
InChIKeyCXFPZFFEFYIWDD-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.01
Rot. Bonds5

About 3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine

3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine (PubChem CID 123727003) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine.

Molecular Properties

Compound Name3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine
PubChem CID123727003
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine
SMILESC=CC(=CCN)CCN(C)C
InChIInChI=1S/C9H18N2/c1-4-9(5-7-10)6-8-11(2)3/h4-5H,1,6-8,10H2,2-3H3
InChIKeyCXFPZFFEFYIWDD-UHFFFAOYSA-N
XLogP1.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
(4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine
CID 142112936
4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine
CID 143002647
(4Z,6E)-6-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine
CID 143615702
(2Z)-2-(1-fluoroethyl)-N-propylpenta-2,4-dien-1-amine
CID 169885539
(4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine
CID 170100735
(2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine
CID 139250146
(2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine
CID 139250147
N'-[4-(cyclohexa-1,3-dien-1-ylmethylamino)butyl]butane-1,4-diamine
CID 44398246
(3Z,5Z)-3-(1-fluoroethenyl)-N-methylhepta-3,5-dien-1-amine
CID 142873476
(E)-2-but-2-enyl-5-fluoro-N,5-dimethyl-4-methylidenehex-2-en-1-amine
CID 143346303
(3Z)-3-ethenyl-N-ethyl-5-fluorohexa-3,5-dien-1-amine
CID 156725571

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine?
The IUPAC name of 3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine (CID 123727003) is 3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine.
What is the SMILES notation for 3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine?
The canonical SMILES for 3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine is C=CC(=CCN)CCN(C)C.
What is the InChIKey of 3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine?
The InChIKey is CXFPZFFEFYIWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-9(5-7-10)6-8-11(2)3/h4-5H,1,6-8,10H2,2-3H3.
What are the key properties of 3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine?
3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N',N'-dimethylpent-2-ene-1,5-diamine is sourced from PubChem (CID 123727003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).