(3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine

C12H23N — CID 143792641

IUPAC(3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine
SMILESCC/C=C(\C=C/C(C)C)NC(C)C
InChIInChI=1S/C12H23N/c1-6-7-12(13-11(4)5)9-8-10(2)3/h7-11,13H,6H2,1-5H3/b9-8-,12-7+
InChIKeyNPWVTJZULSYDGG-ZHCAKQDLSA-N
MW181.32 g/mol
LogP3.49
Rot. Bonds5

About (3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine

(3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine (PubChem CID 143792641) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine
PubChem CID143792641
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine
SMILESCC/C=C(\C=C/C(C)C)NC(C)C
InChIInChI=1S/C12H23N/c1-6-7-12(13-11(4)5)9-8-10(2)3/h7-11,13H,6H2,1-5H3/b9-8-,12-7+
InChIKeyNPWVTJZULSYDGG-ZHCAKQDLSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.49
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)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine?
The IUPAC name of (3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine (CID 143792641) is (3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine.
What is the SMILES notation for (3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine?
The canonical SMILES for (3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine is CC/C=C(\C=C/C(C)C)NC(C)C.
What is the InChIKey of (3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine?
The InChIKey is NPWVTJZULSYDGG-ZHCAKQDLSA-N. The full InChI is InChI=1S/C12H23N/c1-6-7-12(13-11(4)5)9-8-10(2)3/h7-11,13H,6H2,1-5H3/b9-8-,12-7+.
What are the key properties of (3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine?
(3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine has a molecular weight of 181.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine is sourced from PubChem (CID 143792641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).