N-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine

C12H21N — CID 91029542

IUPACN-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine
SMILESCC(C)=CC(C)=C/N=C/C(C)(C)C
InChIInChI=1S/C12H21N/c1-10(2)7-11(3)8-13-9-12(4,5)6/h7-9H,1-6H3/b11-8?,13-9+
InChIKeyOYDVNZBWGDFPHM-JGVUFJOKSA-N
MW179.31 g/mol
LogP3.97
Rot. Bonds2

About N-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine

N-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine (PubChem CID 91029542) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound NameN-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine
PubChem CID91029542
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine
SMILESCC(C)=CC(C)=C/N=C/C(C)(C)C
InChIInChI=1S/C12H21N/c1-10(2)7-11(3)8-13-9-12(4,5)6/h7-9H,1-6H3/b11-8?,13-9+
InChIKeyOYDVNZBWGDFPHM-JGVUFJOKSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
(Z)-N-[(1Z,3E)-1-fluoro-2,3-dimethylhexa-1,3-dienyl]ethanimine
CID 144279669
(E,2Z)-2-ethylidene-N-[(Z)-1-fluoro-2-methylbut-1-enyl]-3-methylhept-3-en-1-imine
CID 173807900
3-Fluoro-3,6-dimethylazepine
CID 178157715
3,6-dimethyl-3H-azepine
CID 10103165
5,6-dimethyl-3H-azepine
CID 54481058
N-hexa-1,3-dienylhex-3-en-1-imine
CID 56629480
5-methanidyl-3H-pyridin-3-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
CID 58055620
(2E,4E)-N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine
CID 60138499
3,3,5-Trimethylazepine
CID 68264481
3,3-Dimethylazepine
CID 69925035
(4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine
CID 70254319

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine?
The IUPAC name of N-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine (CID 91029542) is N-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine.
What is the SMILES notation for N-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine?
The canonical SMILES for N-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine is CC(C)=CC(C)=C/N=C/C(C)(C)C.
What is the InChIKey of N-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine?
The InChIKey is OYDVNZBWGDFPHM-JGVUFJOKSA-N. The full InChI is InChI=1S/C12H21N/c1-10(2)7-11(3)8-13-9-12(4,5)6/h7-9H,1-6H3/b11-8?,13-9+.
What are the key properties of N-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine?
N-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpenta-1,3-dienyl)-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 91029542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).