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

C9H15N — CID 142547585

IUPAC(2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(/C)C(=C)C
InChIInChI=1S/C9H15N/c1-5-9(6-10)8(4)7(2)3/h5H,1-2,6,10H2,3-4H3/b9-8+
InChIKeyXIKJOOBAMZBKBY-CMDGGOBGSA-N
MW137.23 g/mol
LogP2.02
Rot. Bonds3

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

(2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine (PubChem CID 142547585) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine
PubChem CID142547585
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(/C)C(=C)C
InChIInChI=1S/C9H15N/c1-5-9(6-10)8(4)7(2)3/h5H,1-2,6,10H2,3-4H3/b9-8+
InChIKeyXIKJOOBAMZBKBY-CMDGGOBGSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.02
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

(2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine
CID 142547597
(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine
CID 142018052
ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine
CID 142547594
(3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol
CID 145191934
ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine
CID 142966093
(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine
CID 90066548
ethane;2-methylbuta-1,3-diene;(3Z)-2,3,4-trimethylhexa-1,3-diene
CID 145156103
3-ethyl-4-prop-1-en-2-ylhepta-1,3,6-triene
CID 141197740
aminomethanol;2-methylprop-2-enoic acid
CID 122684678
(E)-2-ethenylbut-2-en-1-amine
CID 142131613
2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid
CID 157463819
(3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene
CID 164855515

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine (CID 142547585) is (2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine is C=C/C(CN)=C(/C)C(=C)C.
What is the InChIKey of (2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine?
The InChIKey is XIKJOOBAMZBKBY-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H15N/c1-5-9(6-10)8(4)7(2)3/h5H,1-2,6,10H2,3-4H3/b9-8+.
What are the key properties of (2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine?
(2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine is sourced from PubChem (CID 142547585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).