3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine

C12H22N2 — CID 90786085

IUPAC3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine
SMILES[H]/N=C/CC(C)(C)C=C(C)/N=C/C(C)C
InChIInChI=1S/C12H22N2/c1-10(2)9-14-11(3)8-12(4,5)6-7-13/h7-10,13H,6H2,1-5H3/b11-8?,13-7+,14-9+
InChIKeyUMECTXJCYDKGEX-MZSVXARBSA-N
MW194.32 g/mol
LogP3.68
Rot. Bonds5

About 3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine

3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine (PubChem CID 90786085) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine.

Molecular Properties

Compound Name3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine
PubChem CID90786085
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine
SMILES[H]/N=C/CC(C)(C)C=C(C)/N=C/C(C)C
InChIInChI=1S/C12H22N2/c1-10(2)9-14-11(3)8-12(4,5)6-7-13/h7-10,13H,6H2,1-5H3/b11-8?,13-7+,14-9+
InChIKeyUMECTXJCYDKGEX-MZSVXARBSA-N
XLogP3.68
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,4,6-trimethyl-3H-pyridine
CID 57056845
5-(2,2-dimethylpropyl)-3H-pyrrole
CID 57638668
3,5-diethyl-3H-pyrrole
CID 57710494
5-tert-butyl-3-ethyl-3H-pyrrole
CID 59669491
3,3,4,4,6-Pentamethylpyridine
CID 67362875
(Z)-1-ethylimino-4-methylpent-2-en-3-amine
CID 89174968
N-[(Z)-5-methylhex-2-en-2-yl]ethanimine
CID 89193948
6-Ethyl-4-methyl-3,4-dihydropyridine
CID 89240113
6-Ethyl-3-methyl-3,4-dihydropyridine
CID 89379865
3,5-di(propan-2-yl)-3H-pyrrole
CID 89931994
N-[(E)-4-methylhex-2-en-2-yl]ethanimine
CID 90864591
4-Methyl-6-propan-2-yl-3,4-dihydropyridine
CID 90957939

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine?
The IUPAC name of 3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine (CID 90786085) is 3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine.
What is the SMILES notation for 3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine?
The canonical SMILES for 3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine is [H]/N=C/CC(C)(C)C=C(C)/N=C/C(C)C.
What is the InChIKey of 3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine?
The InChIKey is UMECTXJCYDKGEX-MZSVXARBSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)9-14-11(3)8-12(4,5)6-7-13/h7-10,13H,6H2,1-5H3/b11-8?,13-7+,14-9+.
What are the key properties of 3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine?
3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine has a molecular weight of 194.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine is sourced from PubChem (CID 90786085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).