(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine

C9H17N — CID 118534630

IUPAC(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine
SMILESCC/C(C)=C/C=C(/C)NC
InChIInChI=1S/C9H17N/c1-5-8(2)6-7-9(3)10-4/h6-7,10H,5H2,1-4H3/b8-6+,9-7-
InChIKeyZPKUWJUSLYYFID-FFELTBSMSA-N
MW139.24 g/mol
LogP2.47
Rot. Bonds3

About (2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine

(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine (PubChem CID 118534630) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine
PubChem CID118534630
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine
SMILESCC/C(C)=C/C=C(/C)NC
InChIInChI=1S/C9H17N/c1-5-8(2)6-7-9(3)10-4/h6-7,10H,5H2,1-4H3/b8-6+,9-7-
InChIKeyZPKUWJUSLYYFID-FFELTBSMSA-N
XLogP2.47
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 ≤ 52.47
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

(4E)-2-N-methylhepta-2,4-diene-2,5-diamine
CID 174083742
(3E,5Z)-N,6-dimethylocta-1,3,5-trien-3-amine
CID 155329914
2,5-dimethylhepta-2,4-diene
CID 54097255
(3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine
CID 137427614
(2Z,4Z)-N-methylhepta-2,4-dien-2-amine
CID 89431682
5-methyl-2-methylsulfanylhepta-2,4-diene
CID 123877694
(2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine
CID 134409216
(2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine
CID 143169630
(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043
(2Z,4Z)-N-methylhexa-2,4-dien-2-amine
CID 89105834
[(E)-[(E)-3-methylpent-2-enylidene]amino]urea
CID 50989810
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine (CID 118534630) is (2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine is CC/C(C)=C/C=C(/C)NC.
What is the InChIKey of (2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine?
The InChIKey is ZPKUWJUSLYYFID-FFELTBSMSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(2)6-7-9(3)10-4/h6-7,10H,5H2,1-4H3/b8-6+,9-7-.
What are the key properties of (2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine?
(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine is sourced from PubChem (CID 118534630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).