(3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine

C12H23N — CID 89016834

IUPAC(3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine
SMILESC=C(N)/C=C\CCC(CC)C(C)C
InChIInChI=1S/C12H23N/c1-5-12(10(2)3)9-7-6-8-11(4)13/h6,8,10,12H,4-5,7,9,13H2,1-3H3/b8-6-
InChIKeySAQOJPLRVOIARL-VURMDHGXSA-N
MW181.32 g/mol
LogP3.48
Rot. Bonds6

About (3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine

(3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine (PubChem CID 89016834) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine
PubChem CID89016834
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine
SMILESC=C(N)/C=C\CCC(CC)C(C)C
InChIInChI=1S/C12H23N/c1-5-12(10(2)3)9-7-6-8-11(4)13/h6,8,10,12H,4-5,7,9,13H2,1-3H3/b8-6-
InChIKeySAQOJPLRVOIARL-VURMDHGXSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine?
The IUPAC name of (3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine (CID 89016834) is (3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine?
The canonical SMILES for (3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine is C=C(N)/C=C\CCC(CC)C(C)C.
What is the InChIKey of (3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine?
The InChIKey is SAQOJPLRVOIARL-VURMDHGXSA-N. The full InChI is InChI=1S/C12H23N/c1-5-12(10(2)3)9-7-6-8-11(4)13/h6,8,10,12H,4-5,7,9,13H2,1-3H3/b8-6-.
What are the key properties of (3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine?
(3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-ethyl-8-methylnona-1,3-dien-2-amine is sourced from PubChem (CID 89016834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).