(2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine

C12H21N — CID 143114260

IUPAC(2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine
SMILESC=C/C(=C\C=C(/C)CNC)C(C)C
InChIInChI=1S/C12H21N/c1-6-12(10(2)3)8-7-11(4)9-13-5/h6-8,10,13H,1,9H2,2-5H3/b11-7+,12-8+
InChIKeyRMJWQMFDWQPKEI-MKICQXMISA-N
MW179.31 g/mol
LogP2.92
Rot. Bonds5

About (2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine

(2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine (PubChem CID 143114260) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine
PubChem CID143114260
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine
SMILESC=C/C(=C\C=C(/C)CNC)C(C)C
InChIInChI=1S/C12H21N/c1-6-12(10(2)3)8-7-11(4)9-13-5/h6-8,10,13H,1,9H2,2-5H3/b11-7+,12-8+
InChIKeyRMJWQMFDWQPKEI-MKICQXMISA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-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 (2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine (CID 143114260) is (2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine is C=C/C(=C\C=C(/C)CNC)C(C)C.
What is the InChIKey of (2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine?
The InChIKey is RMJWQMFDWQPKEI-MKICQXMISA-N. The full InChI is InChI=1S/C12H21N/c1-6-12(10(2)3)8-7-11(4)9-13-5/h6-8,10,13H,1,9H2,2-5H3/b11-7+,12-8+.
What are the key properties of (2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine?
(2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 143114260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).