azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen

C12H23N — CID 153376220

IUPACazane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen
SMILESC=CC(/C=C(/C)C(=C)C)=C(C)C.N.[H][H]
InChIInChI=1S/C12H18.H3N.H2/c1-7-12(10(4)5)8-11(6)9(2)3;;/h7-8H,1-2H2,3-6H3;1H3;1H/b11-8-;;
InChIKeyZDICHWVOSIWQLY-DSMJZMJWSA-N
MW181.32 g/mol
LogP4.44
Rot. Bonds3

About azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen

azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen (PubChem CID 153376220) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen.

Molecular Properties

Compound Nameazane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen
PubChem CID153376220
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Nameazane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen
SMILESC=CC(/C=C(/C)C(=C)C)=C(C)C.N.[H][H]
InChIInChI=1S/C12H18.H3N.H2/c1-7-12(10(4)5)8-11(6)9(2)3;;/h7-8H,1-2H2,3-6H3;1H3;1H/b11-8-;;
InChIKeyZDICHWVOSIWQLY-DSMJZMJWSA-N
XLogP4.44
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.44
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,4Z)-3-ethenyl-5,6-dimethylhepta-2,4,6-trien-2-amine
CID 153376164
(3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene
CID 153376191
(3E)-4,5-dimethylhexa-1,3,5-triene-2-thiol
CID 176921719
3,4-dimethylpenta-1,3-diene
CID 6713443
(3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane
CID 143320084
ethane;(3Z,7E)-7-ethenyl-2,3,9,10-tetramethyl-5-methylideneundeca-1,3,7,9-tetraen-6-one
CID 143236415
(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane
CID 145064081
(3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
CID 88949201
(1Z)-2,3-dimethylbuta-1,3-dien-1-ol
CID 143116210
methyl (2E)-3,4-dimethylpenta-2,4-dienoate
CID 12685430
2-bromo-4-methylhexa-1,3,5-triene
CID 91031136
azane;2-methylpenta-1,4-dien-3-one;hydrochloride
CID 174999839

Frequently Asked Questions

What is the IUPAC name of azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen?
The IUPAC name of azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen (CID 153376220) is azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen.
What is the SMILES notation for azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen?
The canonical SMILES for azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen is C=CC(/C=C(/C)C(=C)C)=C(C)C.N.[H][H].
What is the InChIKey of azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen?
The InChIKey is ZDICHWVOSIWQLY-DSMJZMJWSA-N. The full InChI is InChI=1S/C12H18.H3N.H2/c1-7-12(10(4)5)8-11(6)9(2)3;;/h7-8H,1-2H2,3-6H3;1H3;1H/b11-8-;;.
What are the key properties of azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen?
azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen has a molecular weight of 181.32 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen is sourced from PubChem (CID 153376220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).