(3E,5Z)-3-methylocta-1,3,5-trien-4-amine

C9H15N — CID 88993026

IUPAC(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
SMILESC=C/C(C)=C(N)\C=C/CC
InChIInChI=1S/C9H15N/c1-4-6-7-9(10)8(3)5-2/h5-7H,2,4,10H2,1,3H3/b7-6-,9-8+
InChIKeyNOCAPMNCKHZIBL-NMMTYZSQSA-N
MW137.23 g/mol
LogP2.37
Rot. Bonds3

About (3E,5Z)-3-methylocta-1,3,5-trien-4-amine

(3E,5Z)-3-methylocta-1,3,5-trien-4-amine (PubChem CID 88993026) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (3E,5Z)-3-methylocta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
PubChem CID88993026
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
SMILESC=C/C(C)=C(N)\C=C/CC
InChIInChI=1S/C9H15N/c1-4-6-7-9(10)8(3)5-2/h5-7H,2,4,10H2,1,3H3/b7-6-,9-8+
InChIKeyNOCAPMNCKHZIBL-NMMTYZSQSA-N
XLogP2.37
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 ≤ 52.37
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 (3E,5Z)-3-methylocta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-3-methylocta-1,3,5-trien-4-amine (CID 88993026) is (3E,5Z)-3-methylocta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-3-methylocta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-3-methylocta-1,3,5-trien-4-amine is C=C/C(C)=C(N)\C=C/CC.
What is the InChIKey of (3E,5Z)-3-methylocta-1,3,5-trien-4-amine?
The InChIKey is NOCAPMNCKHZIBL-NMMTYZSQSA-N. The full InChI is InChI=1S/C9H15N/c1-4-6-7-9(10)8(3)5-2/h5-7H,2,4,10H2,1,3H3/b7-6-,9-8+.
What are the key properties of (3E,5Z)-3-methylocta-1,3,5-trien-4-amine?
(3E,5Z)-3-methylocta-1,3,5-trien-4-amine has a molecular weight of 137.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-methylocta-1,3,5-trien-4-amine is sourced from PubChem (CID 88993026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).