(3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine

C13H19N — CID 91866614

IUPAC(3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine
SMILESCC(C)C1=C/C=C\C=C/N=C\1C(C)C
InChIInChI=1S/C13H19N/c1-10(2)12-8-6-5-7-9-14-13(12)11(3)4/h5-11H,1-4H3/b6-5-,7-5-,8-6-,9-7-,12-8-,13-12+,14-9-,14-13-
InChIKeyKGXPFGALPCQZPZ-NOTWQZAISA-N
MW189.30 g/mol
LogP3.75
Rot. Bonds2

About (3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine

(3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine (PubChem CID 91866614) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine.

Molecular Properties

Compound Name(3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine
PubChem CID91866614
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine
SMILESCC(C)C1=C/C=C\C=C/N=C\1C(C)C
InChIInChI=1S/C13H19N/c1-10(2)12-8-6-5-7-9-14-13(12)11(3)4/h5-11H,1-4H3/b6-5-,7-5-,8-6-,9-7-,12-8-,13-12+,14-9-,14-13-
InChIKeyKGXPFGALPCQZPZ-NOTWQZAISA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3H-Azepine, 2,5-bis(1,1-dimethylethyl)-
CID 10998164
2-Pentylazocine
CID 57095178
2-Cyclohexylazocine
CID 57297876
Methyl(ethyl) 3h azepine
CID 91189360
(3Z,5Z,7Z)-2,3-bis[(3Z,5Z,7Z)-azocin-2-yl]azocine
CID 129643885
6-(4-Methylpenta-1,3-dien-2-yl)-2-(trifluoromethyl)-3,6-dihydroazocine
CID 166651529
(5Z)-3-ethenyl-8-[(5E,7E)-5-fluoro-2,12-dimethyltrideca-1,3,5,7-tetraen-7-yl]-2,3,4,7-tetrahydroazocine
CID 169948391
2,5-di(propan-2-yl)-3H-azepine
CID 10241356
Azabicyclooctadiene
CID 129799705
4-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-2-methyl-3H-pyrrole
CID 142825982
(Z)-N-ethenyl-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethylhept-3-en-2-imine
CID 144383744
(3Z)-11-fluoro-4-methyl-2-azabicyclo[6.5.0]trideca-1,3,6,10,12-pentaene
CID 144450432

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine?
The IUPAC name of (3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine (CID 91866614) is (3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine.
What is the SMILES notation for (3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine?
The canonical SMILES for (3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine is CC(C)C1=C/C=C\C=C/N=C\1C(C)C.
What is the InChIKey of (3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine?
The InChIKey is KGXPFGALPCQZPZ-NOTWQZAISA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)12-8-6-5-7-9-14-13(12)11(3)4/h5-11H,1-4H3/b6-5-,7-5-,8-6-,9-7-,12-8-,13-12+,14-9-,14-13-.
What are the key properties of (3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine?
(3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine has a molecular weight of 189.30 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine is sourced from PubChem (CID 91866614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).