(E)-2,3-dimethylbut-2-ene-1,4-diamine

C6H14N2 — CID 55291095

IUPAC(E)-2,3-dimethylbut-2-ene-1,4-diamine
SMILESC/C(CN)=C(/C)CN
InChIInChI=1S/C6H14N2/c1-5(3-7)6(2)4-8/h3-4,7-8H2,1-2H3/b6-5+
InChIKeyRDPJLELODUFZHE-AATRIKPKSA-N
MW114.19 g/mol
LogP0.24
Rot. Bonds2

About (E)-2,3-dimethylbut-2-ene-1,4-diamine

(E)-2,3-dimethylbut-2-ene-1,4-diamine (PubChem CID 55291095) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-2,3-dimethylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-2,3-dimethylbut-2-ene-1,4-diamine
PubChem CID55291095
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(E)-2,3-dimethylbut-2-ene-1,4-diamine
SMILESC/C(CN)=C(/C)CN
InChIInChI=1S/C6H14N2/c1-5(3-7)6(2)4-8/h3-4,7-8H2,1-2H3/b6-5+
InChIKeyRDPJLELODUFZHE-AATRIKPKSA-N
XLogP0.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine
CID 145230343
(2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine
CID 142179621
3-methoxy-2-methylhexa-2,4-dien-1-amine
CID 123607717
aminomethanol;dihydrate
CID 173179339
2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione
CID 138523801
methyl 4-amino-2-ethyl-3-methylbut-2-enoate
CID 174518319
trisodium;2-aminoacetate;diacetate
CID 20975811
2-aminoacetate;iron(3+);diacetate
CID 174987571
ethane;(E)-2-methylbut-2-en-1-amine
CID 143126419
acetic acid;2-aminoacetic acid;azane
CID 175048501
acetic acid;methanediamine
CID 162329452
(E)-2-chlorobut-2-ene-1,3-diamine
CID 146384599

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dimethylbut-2-ene-1,4-diamine?
The IUPAC name of (E)-2,3-dimethylbut-2-ene-1,4-diamine (CID 55291095) is (E)-2,3-dimethylbut-2-ene-1,4-diamine.
What is the SMILES notation for (E)-2,3-dimethylbut-2-ene-1,4-diamine?
The canonical SMILES for (E)-2,3-dimethylbut-2-ene-1,4-diamine is C/C(CN)=C(/C)CN.
What is the InChIKey of (E)-2,3-dimethylbut-2-ene-1,4-diamine?
The InChIKey is RDPJLELODUFZHE-AATRIKPKSA-N. The full InChI is InChI=1S/C6H14N2/c1-5(3-7)6(2)4-8/h3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of (E)-2,3-dimethylbut-2-ene-1,4-diamine?
(E)-2,3-dimethylbut-2-ene-1,4-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dimethylbut-2-ene-1,4-diamine is sourced from PubChem (CID 55291095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).