(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine

C8H13N — CID 142018052

IUPAC(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine
SMILESC=C/C(C)=C(\C=C)CN
InChIInChI=1S/C8H13N/c1-4-7(3)8(5-2)6-9/h4-5H,1-2,6,9H2,3H3/b8-7+
InChIKeyIWBQSBIAAMWIAR-BQYQJAHWSA-N
MW123.20 g/mol
LogP1.63
Rot. Bonds3

About (2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine

(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine (PubChem CID 142018052) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine
PubChem CID142018052
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine
SMILESC=C/C(C)=C(\C=C)CN
InChIInChI=1S/C8H13N/c1-4-7(3)8(5-2)6-9/h4-5H,1-2,6,9H2,3H3/b8-7+
InChIKeyIWBQSBIAAMWIAR-BQYQJAHWSA-N
XLogP1.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine
CID 142547585
(3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol
CID 145191934
(2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine
CID 142547597
(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene
CID 142238134
ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine
CID 142547594
3,4-dimethylpenta-1,3-diene
CID 6713443
ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine
CID 142966093
3-methylpenta-2,4-dien-2-amine
CID 141358440
(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine
CID 90066548
1-[(3Z)-3-ethenyl-4-methylhexa-3,5-dienyl]-2-methylbenzene
CID 170954557
1,1-diethoxy-2-methylbuta-1,3-diene
CID 19609192
(2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane
CID 142810512

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine (CID 142018052) is (2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine is C=C/C(C)=C(\C=C)CN.
What is the InChIKey of (2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine?
The InChIKey is IWBQSBIAAMWIAR-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H13N/c1-4-7(3)8(5-2)6-9/h4-5H,1-2,6,9H2,3H3/b8-7+.
What are the key properties of (2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine?
(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 142018052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).