(4E)-4-methylhepta-4,6-dien-2-amine

C8H15N — CID 144723501

IUPAC(4E)-4-methylhepta-4,6-dien-2-amine
SMILESC=C/C=C(\C)CC(C)N
InChIInChI=1S/C8H15N/c1-4-5-7(2)6-8(3)9/h4-5,8H,1,6,9H2,2-3H3/b7-5+
InChIKeyFMSYYOOWAQULMU-FNORWQNLSA-N
MW125.21 g/mol
LogP1.86
Rot. Bonds3

About (4E)-4-methylhepta-4,6-dien-2-amine

(4E)-4-methylhepta-4,6-dien-2-amine (PubChem CID 144723501) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (4E)-4-methylhepta-4,6-dien-2-amine.

Molecular Properties

Compound Name(4E)-4-methylhepta-4,6-dien-2-amine
PubChem CID144723501
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(4E)-4-methylhepta-4,6-dien-2-amine
SMILESC=C/C=C(\C)CC(C)N
InChIInChI=1S/C8H15N/c1-4-5-7(2)6-8(3)9/h4-5,8H,1,6,9H2,2-3H3/b7-5+
InChIKeyFMSYYOOWAQULMU-FNORWQNLSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.86
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

CID 173495627
CID 173495627
(3Z,5E)-6,8-dimethylnona-1,3,5-triene
CID 174045679
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane
CID 145049129
5-aminohex-1-en-3-one
CID 116555878
4,6-dimethylocta-1,3,6-triene
CID 59970849
3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine
CID 91360087
(2R)-1-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpropan-2-amine
CID 163480350
(3E)-4,5,7-trimethylocta-1,3,7-triene
CID 178162808
(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene
CID 142226074
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873
(2S,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 126549063

Frequently Asked Questions

What is the IUPAC name of (4E)-4-methylhepta-4,6-dien-2-amine?
The IUPAC name of (4E)-4-methylhepta-4,6-dien-2-amine (CID 144723501) is (4E)-4-methylhepta-4,6-dien-2-amine.
What is the SMILES notation for (4E)-4-methylhepta-4,6-dien-2-amine?
The canonical SMILES for (4E)-4-methylhepta-4,6-dien-2-amine is C=C/C=C(\C)CC(C)N.
What is the InChIKey of (4E)-4-methylhepta-4,6-dien-2-amine?
The InChIKey is FMSYYOOWAQULMU-FNORWQNLSA-N. The full InChI is InChI=1S/C8H15N/c1-4-5-7(2)6-8(3)9/h4-5,8H,1,6,9H2,2-3H3/b7-5+.
What are the key properties of (4E)-4-methylhepta-4,6-dien-2-amine?
(4E)-4-methylhepta-4,6-dien-2-amine has a molecular weight of 125.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-methylhepta-4,6-dien-2-amine is sourced from PubChem (CID 144723501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).