(3E)-N-ethylpenta-1,3-dien-3-amine

C7H13N — CID 142013654

IUPAC(3E)-N-ethylpenta-1,3-dien-3-amine
SMILESC=C/C(=C\C)NCC
InChIInChI=1S/C7H13N/c1-4-7(5-2)8-6-3/h4-5,8H,1,6H2,2-3H3/b7-5+
InChIKeyOXHFXVJFTTYWBZ-FNORWQNLSA-N
MW111.19 g/mol
LogP1.69
Rot. Bonds3

About (3E)-N-ethylpenta-1,3-dien-3-amine

(3E)-N-ethylpenta-1,3-dien-3-amine (PubChem CID 142013654) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (3E)-N-ethylpenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-N-ethylpenta-1,3-dien-3-amine
PubChem CID142013654
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(3E)-N-ethylpenta-1,3-dien-3-amine
SMILESC=C/C(=C\C)NCC
InChIInChI=1S/C7H13N/c1-4-7(5-2)8-6-3/h4-5,8H,1,6H2,2-3H3/b7-5+
InChIKeyOXHFXVJFTTYWBZ-FNORWQNLSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.69
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 (3E)-N-ethylpenta-1,3-dien-3-amine?
The IUPAC name of (3E)-N-ethylpenta-1,3-dien-3-amine (CID 142013654) is (3E)-N-ethylpenta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-N-ethylpenta-1,3-dien-3-amine?
The canonical SMILES for (3E)-N-ethylpenta-1,3-dien-3-amine is C=C/C(=C\C)NCC.
What is the InChIKey of (3E)-N-ethylpenta-1,3-dien-3-amine?
The InChIKey is OXHFXVJFTTYWBZ-FNORWQNLSA-N. The full InChI is InChI=1S/C7H13N/c1-4-7(5-2)8-6-3/h4-5,8H,1,6H2,2-3H3/b7-5+.
What are the key properties of (3E)-N-ethylpenta-1,3-dien-3-amine?
(3E)-N-ethylpenta-1,3-dien-3-amine has a molecular weight of 111.19 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethylpenta-1,3-dien-3-amine is sourced from PubChem (CID 142013654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).