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

C9H17N — CID 126583961

IUPAC(2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine
SMILESCN/C(C)=C/C=C\C(C)C
InChIInChI=1S/C9H17N/c1-8(2)6-5-7-9(3)10-4/h5-8,10H,1-4H3/b6-5-,9-7+
InChIKeyGNRVZNXLGIRIPM-BZWSEGBZSA-N
MW139.24 g/mol
LogP2.32
Rot. Bonds3

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

(2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine (PubChem CID 126583961) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine
PubChem CID126583961
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine
SMILESCN/C(C)=C/C=C\C(C)C
InChIInChI=1S/C9H17N/c1-8(2)6-5-7-9(3)10-4/h5-8,10H,1-4H3/b6-5-,9-7+
InChIKeyGNRVZNXLGIRIPM-BZWSEGBZSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene
CID 162298747
(2Z,4Z)-N-methylhexa-2,4-dien-2-amine
CID 89105834
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane
CID 162272245
2,6-dimethylhepta-2,4-dienal
CID 171535580
(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632
(2Z,4Z)-N-methylhepta-2,4-dien-2-amine
CID 89431682
(2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine
CID 142101563
(2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine
CID 145165350
(2Z,4E)-2,6-dimethylhepta-2,4-dienamide
CID 129311525
(2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine
CID 131965537
(2E,4Z)-2,6-dimethylhepta-2,4-dienenitrile;ethane
CID 142548648

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine?
The IUPAC name of (2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine (CID 126583961) is (2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine?
The canonical SMILES for (2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine is CN/C(C)=C/C=C\C(C)C.
What is the InChIKey of (2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine?
The InChIKey is GNRVZNXLGIRIPM-BZWSEGBZSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)6-5-7-9(3)10-4/h5-8,10H,1-4H3/b6-5-,9-7+.
What are the key properties of (2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine?
(2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine is sourced from PubChem (CID 126583961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).