2-ethylpent-2-ene-1,3-diamine

C7H16N2 — CID 173162186

IUPAC2-ethylpent-2-ene-1,3-diamine
SMILESCCC(N)=C(CC)CN
InChIInChI=1S/C7H16N2/c1-3-6(5-8)7(9)4-2/h3-5,8-9H2,1-2H3
InChIKeyUIFMRMCBAIBULW-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.98
Rot. Bonds3

About 2-ethylpent-2-ene-1,3-diamine

2-ethylpent-2-ene-1,3-diamine (PubChem CID 173162186) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-ethylpent-2-ene-1,3-diamine.

Molecular Properties

Compound Name2-ethylpent-2-ene-1,3-diamine
PubChem CID173162186
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name2-ethylpent-2-ene-1,3-diamine
SMILESCCC(N)=C(CC)CN
InChIInChI=1S/C7H16N2/c1-3-6(5-8)7(9)4-2/h3-5,8-9H2,1-2H3
InChIKeyUIFMRMCBAIBULW-UHFFFAOYSA-N
XLogP0.98
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dimethylpent-3-ene-1,1-diamine
CID 87323071
(E)-3-methylpent-3-ene-1,4-diamine;dihydrobromide
CID 88212430
(Z)-3-methylpent-2-ene-2,4-diamine
CID 88299653
3-Ethylpent-2-ene-1,2-diamine
CID 88489670
(Z)-2-butylbut-2-ene-1,1,3-triamine
CID 135293238
2,3-Diethylbut-2-ene-1,4-diamine
CID 141333326
2-Ethyl-3-methylbut-2-ene-1,1-diamine
CID 145730315
4,5-di(propan-2-yl)-3,6-dihydro-2H-1,2,6-thiadiazine
CID 145754112
(Z)-2-ethyl-1-N-methylbut-2-ene-1,3-diamine
CID 146392665
ethane;(Z)-3-methylpent-2-ene-2,4-diamine
CID 155700173
(E)-2-ethylbut-2-ene-1,3-diamine
CID 156140272
(E)-2-ethyl-3-methylbut-2-ene-1,4-diamine
CID 156509223

Frequently Asked Questions

What is the IUPAC name of 2-ethylpent-2-ene-1,3-diamine?
The IUPAC name of 2-ethylpent-2-ene-1,3-diamine (CID 173162186) is 2-ethylpent-2-ene-1,3-diamine.
What is the SMILES notation for 2-ethylpent-2-ene-1,3-diamine?
The canonical SMILES for 2-ethylpent-2-ene-1,3-diamine is CCC(N)=C(CC)CN.
What is the InChIKey of 2-ethylpent-2-ene-1,3-diamine?
The InChIKey is UIFMRMCBAIBULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-6(5-8)7(9)4-2/h3-5,8-9H2,1-2H3.
What are the key properties of 2-ethylpent-2-ene-1,3-diamine?
2-ethylpent-2-ene-1,3-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpent-2-ene-1,3-diamine is sourced from PubChem (CID 173162186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).