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

C8H15N — CID 89299699

IUPAC(2E,4Z)-4-methylhepta-2,4-dien-3-amine
SMILESC/C=C(N)\C(C)=C/CC
InChIInChI=1S/C8H15N/c1-4-6-7(3)8(9)5-2/h5-6H,4,9H2,1-3H3/b7-6-,8-5+
InChIKeyPHDYLHSFNFPBCC-WNXMRAAYSA-N
MW125.21 g/mol
LogP2.21
Rot. Bonds2

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

(2E,4Z)-4-methylhepta-2,4-dien-3-amine (PubChem CID 89299699) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (2E,4Z)-4-methylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-4-methylhepta-2,4-dien-3-amine
PubChem CID89299699
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(2E,4Z)-4-methylhepta-2,4-dien-3-amine
SMILESC/C=C(N)\C(C)=C/CC
InChIInChI=1S/C8H15N/c1-4-6-7(3)8(9)5-2/h5-6H,4,9H2,1-3H3/b7-6-,8-5+
InChIKeyPHDYLHSFNFPBCC-WNXMRAAYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 (2E,4Z)-4-methylhepta-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-4-methylhepta-2,4-dien-3-amine (CID 89299699) is (2E,4Z)-4-methylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-4-methylhepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-4-methylhepta-2,4-dien-3-amine is C/C=C(N)\C(C)=C/CC.
What is the InChIKey of (2E,4Z)-4-methylhepta-2,4-dien-3-amine?
The InChIKey is PHDYLHSFNFPBCC-WNXMRAAYSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-7(3)8(9)5-2/h5-6H,4,9H2,1-3H3/b7-6-,8-5+.
What are the key properties of (2E,4Z)-4-methylhepta-2,4-dien-3-amine?
(2E,4Z)-4-methylhepta-2,4-dien-3-amine has a molecular weight of 125.21 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-methylhepta-2,4-dien-3-amine is sourced from PubChem (CID 89299699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).