(3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine

C12H18N2 — CID 91866613

IUPAC(3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine
SMILESCC(C)C1=C/N=C\C=C/N=C\1C(C)C
InChIInChI=1S/C12H18N2/c1-9(2)11-8-13-6-5-7-14-12(11)10(3)4/h5-10H,1-4H3/b6-5-,7-5-,11-8-,12-11+,13-6-,13-8-,14-7-,14-12-
InChIKeyFSWGDYIWNNHCJQ-UMGURMDYSA-N
MW190.29 g/mol
LogP3.22
Rot. Bonds2

About (3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine

(3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine (PubChem CID 91866613) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine.

Molecular Properties

Compound Name(3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine
PubChem CID91866613
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine
SMILESCC(C)C1=C/N=C\C=C/N=C\1C(C)C
InChIInChI=1S/C12H18N2/c1-9(2)11-8-13-6-5-7-14-12(11)10(3)4/h5-10H,1-4H3/b6-5-,7-5-,11-8-,12-11+,13-6-,13-8-,14-7-,14-12-
InChIKeyFSWGDYIWNNHCJQ-UMGURMDYSA-N
XLogP3.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine
CID 89064159
(1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine
CID 89088417
8-Ethyl-3-propan-2-yl-4,5-dihydroazocine
CID 91102431
4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine
CID 123252466
(Z)-2-N-tert-butyl-7-N-ethylidene-4-N,3-dimethyl-5-methylidenehept-6-ene-2,4,7-triimine
CID 123331297
N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine
CID 123508740
N-[(Z)-5-methylhex-1-enyl]prop-2-en-1-imine
CID 126513640
1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine
CID 126593497
(Z)-1-N-(2,2-dimethylpropylidene)-3-N-ethenyl-5,5-dimethylhex-1-ene-1,3-diimine
CID 126725558
5,6-Di(propan-2-yl)-1,4-diazacyclohepta-1,2,4,6-tetraene
CID 129159227
4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine
CID 129194232
N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine
CID 130320687

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine?
The IUPAC name of (3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine (CID 91866613) is (3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine.
What is the SMILES notation for (3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine?
The canonical SMILES for (3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine is CC(C)C1=C/N=C\C=C/N=C\1C(C)C.
What is the InChIKey of (3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine?
The InChIKey is FSWGDYIWNNHCJQ-UMGURMDYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)11-8-13-6-5-7-14-12(11)10(3)4/h5-10H,1-4H3/b6-5-,7-5-,11-8-,12-11+,13-6-,13-8-,14-7-,14-12-.
What are the key properties of (3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine?
(3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine has a molecular weight of 190.29 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine is sourced from PubChem (CID 91866613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).