2-N-ethylbut-1-ene-2,3-diamine

C6H14N2 — CID 163673906

IUPAC2-N-ethylbut-1-ene-2,3-diamine
SMILESC=C(NCC)C(C)N
InChIInChI=1S/C6H14N2/c1-4-8-6(3)5(2)7/h5,8H,3-4,7H2,1-2H3
InChIKeyJEZAWAKDJYSXMF-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.46
Rot. Bonds3

About 2-N-ethylbut-1-ene-2,3-diamine

2-N-ethylbut-1-ene-2,3-diamine (PubChem CID 163673906) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-N-ethylbut-1-ene-2,3-diamine.

Molecular Properties

Compound Name2-N-ethylbut-1-ene-2,3-diamine
PubChem CID163673906
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name2-N-ethylbut-1-ene-2,3-diamine
SMILESC=C(NCC)C(C)N
InChIInChI=1S/C6H14N2/c1-4-8-6(3)5(2)7/h5,8H,3-4,7H2,1-2H3
InChIKeyJEZAWAKDJYSXMF-UHFFFAOYSA-N
XLogP0.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 129691641
CID 129691641
CID 130290951
CID 130290951
CID 130290995
CID 130290995
CID 130291029
CID 130291029
CID 130291030
CID 130291030
CID 130291047
CID 130291047
CID 130291194
CID 130291194
CID 143723954
CID 143723954
CID 156093499
CID 156093499
CID 18731820
CID 18731820
CID 19094848
CID 19094848
CID 19417869
CID 19417869

Frequently Asked Questions

What is the IUPAC name of 2-N-ethylbut-1-ene-2,3-diamine?
The IUPAC name of 2-N-ethylbut-1-ene-2,3-diamine (CID 163673906) is 2-N-ethylbut-1-ene-2,3-diamine.
What is the SMILES notation for 2-N-ethylbut-1-ene-2,3-diamine?
The canonical SMILES for 2-N-ethylbut-1-ene-2,3-diamine is C=C(NCC)C(C)N.
What is the InChIKey of 2-N-ethylbut-1-ene-2,3-diamine?
The InChIKey is JEZAWAKDJYSXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-8-6(3)5(2)7/h5,8H,3-4,7H2,1-2H3.
What are the key properties of 2-N-ethylbut-1-ene-2,3-diamine?
2-N-ethylbut-1-ene-2,3-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethylbut-1-ene-2,3-diamine is sourced from PubChem (CID 163673906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).