(2E)-3,4-dimethylpenta-2,4-dien-2-amine

C7H13N — CID 19853716

IUPAC(2E)-3,4-dimethylpenta-2,4-dien-2-amine
SMILESC=C(C)/C(C)=C(\C)N
InChIInChI=1S/C7H13N/c1-5(2)6(3)7(4)8/h1,8H2,2-4H3/b7-6+
InChIKeyDZOHENCEABPHLJ-VOTSOKGWSA-N
MW111.19 g/mol
LogP1.82
Rot. Bonds1

About (2E)-3,4-dimethylpenta-2,4-dien-2-amine

(2E)-3,4-dimethylpenta-2,4-dien-2-amine (PubChem CID 19853716) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (2E)-3,4-dimethylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-3,4-dimethylpenta-2,4-dien-2-amine
PubChem CID19853716
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(2E)-3,4-dimethylpenta-2,4-dien-2-amine
SMILESC=C(C)/C(C)=C(\C)N
InChIInChI=1S/C7H13N/c1-5(2)6(3)7(4)8/h1,8H2,2-4H3/b7-6+
InChIKeyDZOHENCEABPHLJ-VOTSOKGWSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-3,4-dimethylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-3,4-dimethylpenta-2,4-dien-2-amine (CID 19853716) is (2E)-3,4-dimethylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-3,4-dimethylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-3,4-dimethylpenta-2,4-dien-2-amine is C=C(C)/C(C)=C(\C)N.
What is the InChIKey of (2E)-3,4-dimethylpenta-2,4-dien-2-amine?
The InChIKey is DZOHENCEABPHLJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13N/c1-5(2)6(3)7(4)8/h1,8H2,2-4H3/b7-6+.
What are the key properties of (2E)-3,4-dimethylpenta-2,4-dien-2-amine?
(2E)-3,4-dimethylpenta-2,4-dien-2-amine has a molecular weight of 111.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,4-dimethylpenta-2,4-dien-2-amine is sourced from PubChem (CID 19853716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).