2,2-dimethyl-3-methyliminohex-4-enenitrile

C9H14N2 — CID 91338500

IUPAC2,2-dimethyl-3-methyliminohex-4-enenitrile
SMILESCC=C/C(=N\C)C(C)(C)C#N
InChIInChI=1S/C9H14N2/c1-5-6-8(11-4)9(2,3)7-10/h5-6H,1-4H3/b6-5?,11-8+
InChIKeyICSDUSICFQNMGR-SHZBLTAYSA-N
MW150.22 g/mol
LogP2.18
Rot. Bonds2

About 2,2-dimethyl-3-methyliminohex-4-enenitrile

2,2-dimethyl-3-methyliminohex-4-enenitrile (PubChem CID 91338500) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,2-dimethyl-3-methyliminohex-4-enenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-methyliminohex-4-enenitrile
PubChem CID91338500
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2,2-dimethyl-3-methyliminohex-4-enenitrile
SMILESCC=C/C(=N\C)C(C)(C)C#N
InChIInChI=1S/C9H14N2/c1-5-6-8(11-4)9(2,3)7-10/h5-6H,1-4H3/b6-5?,11-8+
InChIKeyICSDUSICFQNMGR-SHZBLTAYSA-N
XLogP2.18
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyl-4-methyliminocyclohepta-2,5-diene-1-carbonitrile
CID 91388424
(Z)-2-methylidene-3-methyliminohex-4-enenitrile
CID 123452029
5-Methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile
CID 123764276
(2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile
CID 123919888
(4Z)-6-methyl-3-methyliminohepta-4,6-dienenitrile
CID 132037222
3-Ethenylimino-2,2,5-trimethylhex-4-enenitrile
CID 142382036
(Z)-N,2,2-trimethylhex-4-en-3-imine
CID 143781544
2-(2H-azepin-7-yl)-2-methylpropanenitrile
CID 144141359
2,6-Dimethyl-2,3-dihydropyridine-3-carbonitrile
CID 161360872
(Z)-N,2,2-trimethylhept-4-en-3-imine
CID 170073957

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-methyliminohex-4-enenitrile?
The IUPAC name of 2,2-dimethyl-3-methyliminohex-4-enenitrile (CID 91338500) is 2,2-dimethyl-3-methyliminohex-4-enenitrile.
What is the SMILES notation for 2,2-dimethyl-3-methyliminohex-4-enenitrile?
The canonical SMILES for 2,2-dimethyl-3-methyliminohex-4-enenitrile is CC=C/C(=N\C)C(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-3-methyliminohex-4-enenitrile?
The InChIKey is ICSDUSICFQNMGR-SHZBLTAYSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-6-8(11-4)9(2,3)7-10/h5-6H,1-4H3/b6-5?,11-8+.
What are the key properties of 2,2-dimethyl-3-methyliminohex-4-enenitrile?
2,2-dimethyl-3-methyliminohex-4-enenitrile has a molecular weight of 150.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methyliminohex-4-enenitrile is sourced from PubChem (CID 91338500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).