(2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine

C13H19N — CID 58763085

IUPAC(2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine
SMILESCC(C)C1=C(C(C)C)/N=C\C=C/C=C\1
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 (2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine

(2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine (PubChem CID 58763085) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine.

Molecular Properties

Compound Name(2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine
PubChem CID58763085
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine
SMILESCC(C)C1=C(C(C)C)/N=C\C=C/C=C\1
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

(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 139444855
(E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine
CID 163739316
(E)-N-[(2E,5E)-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine
CID 163875287
(E)-N-[(2E)-3-fluoro-4-methylidenehepta-2,5,6-trien-2-yl]but-2-en-1-imine
CID 166976469
(E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine
CID 166976500
N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine
CID 166976510
(3E,5Z)-3-ethenyl-N-[(Z)-1-fluoro-5-methylhept-3-en-3-yl]-6-methyl-2-methylideneocta-3,5-dien-1-imine
CID 169645766
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
CID 170194966
(2Z,6Z)-5-but-1-enyl-7-fluoro-2-methyl-4,5-dihydroazocine
CID 173796339
(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine
CID 135053282
3-Ethylcyclopenta[c]pyrrole
CID 21095456
3-Butan-2-ylcyclopenta[c]pyrrole
CID 21095609

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine?
The IUPAC name of (2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine (CID 58763085) is (2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine.
What is the SMILES notation for (2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine?
The canonical SMILES for (2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine is CC(C)C1=C(C(C)C)/N=C\C=C/C=C\1.
What is the InChIKey of (2Z,4Z,6Z)-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 (2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine?
(2Z,4Z,6Z)-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 (2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine is sourced from PubChem (CID 58763085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).