(2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine

C11H17N — CID 153376164

IUPAC(2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine
SMILESC=CC(/C=C(/C)C(=C)C)=C(\C)N
InChIInChI=1S/C11H17N/c1-6-11(10(5)12)7-9(4)8(2)3/h6-7H,1-2,12H2,3-5H3/b9-7-,11-10-
InChIKeyHFLOCECPDOHKBB-MNAJIYKBSA-N
MW163.26 g/mol
LogP2.93
Rot. Bonds3

About (2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine

(2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine (PubChem CID 153376164) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine
PubChem CID153376164
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine
SMILESC=CC(/C=C(/C)C(=C)C)=C(\C)N
InChIInChI=1S/C11H17N/c1-6-11(10(5)12)7-9(4)8(2)3/h6-7H,1-2,12H2,3-5H3/b9-7-,11-10-
InChIKeyHFLOCECPDOHKBB-MNAJIYKBSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.93
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

azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen
CID 153376220
(3E)-4,5-dimethylhexa-1,3,5-triene-2-thiol
CID 176921719
3-methylpenta-2,4-dien-2-amine
CID 141358440
(3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane
CID 143320084
(3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene
CID 143876381
(2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine
CID 126639396
(NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine
CID 169488452
2-methylprop-2-enamide;prop-2-enoyl chloride
CID 174876854
(2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine
CID 142547585
ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine
CID 142966093
(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane
CID 145064081
ethane;ethene;(2Z)-penta-2,4-diene-2,3-diamine
CID 142059909

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine (CID 153376164) is (2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine is C=CC(/C=C(/C)C(=C)C)=C(\C)N.
What is the InChIKey of (2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine?
The InChIKey is HFLOCECPDOHKBB-MNAJIYKBSA-N. The full InChI is InChI=1S/C11H17N/c1-6-11(10(5)12)7-9(4)8(2)3/h6-7H,1-2,12H2,3-5H3/b9-7-,11-10-.
What are the key properties of (2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine?
(2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine has a molecular weight of 163.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 153376164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).