(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine

C9H15N — CID 134369186

IUPAC(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(C)=C(/C)NC
InChIInChI=1S/C9H15N/c1-5-6-7-8(2)9(3)10-4/h5-7,10H,1H2,2-4H3/b7-6-,9-8+
InChIKeyCSUOCTYTYRIBEY-NMMTYZSQSA-N
MW137.23 g/mol
LogP2.24
Rot. Bonds3

About (2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine

(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine (PubChem CID 134369186) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine
PubChem CID134369186
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(C)=C(/C)NC
InChIInChI=1S/C9H15N/c1-5-6-7-8(2)9(3)10-4/h5-7,10H,1H2,2-4H3/b7-6-,9-8+
InChIKeyCSUOCTYTYRIBEY-NMMTYZSQSA-N
XLogP2.24
TPSA12.03 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 ≤ 52.24
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 (2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine (CID 134369186) is (2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine is C=C/C=C\C(C)=C(/C)NC.
What is the InChIKey of (2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine?
The InChIKey is CSUOCTYTYRIBEY-NMMTYZSQSA-N. The full InChI is InChI=1S/C9H15N/c1-5-6-7-8(2)9(3)10-4/h5-7,10H,1H2,2-4H3/b7-6-,9-8+.
What are the key properties of (2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine?
(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine has a molecular weight of 137.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 134369186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).