(2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine

C8H15N — CID 59408883

IUPAC(2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine
SMILESC/C=C(C)/C(C)=C(/C)N
InChIInChI=1S/C8H15N/c1-5-6(2)7(3)8(4)9/h5H,9H2,1-4H3/b6-5+,8-7-
InChIKeyVAPKMVBMHYFGDY-MDAAKZFYSA-N
MW125.21 g/mol
LogP2.21
Rot. Bonds1

About (2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine

(2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine (PubChem CID 59408883) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine
PubChem CID59408883
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine
SMILESC/C=C(C)/C(C)=C(/C)N
InChIInChI=1S/C8H15N/c1-5-6(2)7(3)8(4)9/h5H,9H2,1-4H3/b6-5+,8-7-
InChIKeyVAPKMVBMHYFGDY-MDAAKZFYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.21
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 (2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine (CID 59408883) is (2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine is C/C=C(C)/C(C)=C(/C)N.
What is the InChIKey of (2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine?
The InChIKey is VAPKMVBMHYFGDY-MDAAKZFYSA-N. The full InChI is InChI=1S/C8H15N/c1-5-6(2)7(3)8(4)9/h5H,9H2,1-4H3/b6-5+,8-7-.
What are the key properties of (2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine?
(2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine has a molecular weight of 125.21 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3,4-dimethylhexa-2,4-dien-2-amine is sourced from PubChem (CID 59408883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).