(2E,4Z)-9-methyldeca-2,4-dien-3-amine

C11H21N — CID 88575140

IUPAC(2E,4Z)-9-methyldeca-2,4-dien-3-amine
SMILESC/C=C(N)\C=C/CCCC(C)C
InChIInChI=1S/C11H21N/c1-4-11(12)9-7-5-6-8-10(2)3/h4,7,9-10H,5-6,8,12H2,1-3H3/b9-7-,11-4+
InChIKeyUCWBIQOMKZVPCI-WHIYXEERSA-N
MW167.30 g/mol
LogP3.23
Rot. Bonds5

About (2E,4Z)-9-methyldeca-2,4-dien-3-amine

(2E,4Z)-9-methyldeca-2,4-dien-3-amine (PubChem CID 88575140) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2E,4Z)-9-methyldeca-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-9-methyldeca-2,4-dien-3-amine
PubChem CID88575140
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2E,4Z)-9-methyldeca-2,4-dien-3-amine
SMILESC/C=C(N)\C=C/CCCC(C)C
InChIInChI=1S/C11H21N/c1-4-11(12)9-7-5-6-8-10(2)3/h4,7,9-10H,5-6,8,12H2,1-3H3/b9-7-,11-4+
InChIKeyUCWBIQOMKZVPCI-WHIYXEERSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-9-methyldeca-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-9-methyldeca-2,4-dien-3-amine (CID 88575140) is (2E,4Z)-9-methyldeca-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-9-methyldeca-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-9-methyldeca-2,4-dien-3-amine is C/C=C(N)\C=C/CCCC(C)C.
What is the InChIKey of (2E,4Z)-9-methyldeca-2,4-dien-3-amine?
The InChIKey is UCWBIQOMKZVPCI-WHIYXEERSA-N. The full InChI is InChI=1S/C11H21N/c1-4-11(12)9-7-5-6-8-10(2)3/h4,7,9-10H,5-6,8,12H2,1-3H3/b9-7-,11-4+.
What are the key properties of (2E,4Z)-9-methyldeca-2,4-dien-3-amine?
(2E,4Z)-9-methyldeca-2,4-dien-3-amine has a molecular weight of 167.30 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-9-methyldeca-2,4-dien-3-amine is sourced from PubChem (CID 88575140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).