N,2-dimethylprop-2-en-1-imine

C5H9N — CID 12510993

IUPACN,2-dimethylprop-2-en-1-imine
SMILESC=C(C)/C=N/C
InChIInChI=1S/C5H9N/c1-5(2)4-6-3/h4H,1H2,2-3H3/b6-4+
InChIKeyDGAZLOSNDROLQS-GQCTYLIASA-N
MW83.13 g/mol
LogP1.26
Rot. Bonds1

About N,2-dimethylprop-2-en-1-imine

N,2-dimethylprop-2-en-1-imine (PubChem CID 12510993) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is N,2-dimethylprop-2-en-1-imine.

Molecular Properties

Compound NameN,2-dimethylprop-2-en-1-imine
PubChem CID12510993
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC NameN,2-dimethylprop-2-en-1-imine
SMILESC=C(C)/C=N/C
InChIInChI=1S/C5H9N/c1-5(2)4-6-3/h4H,1H2,2-3H3/b6-4+
InChIKeyDGAZLOSNDROLQS-GQCTYLIASA-N
XLogP1.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-propylprop-2-en-1-imine
CID 15326646
(2Z)-N-ethyl-2-(fluoromethylidene)butan-1-imine
CID 134189354
(Z)-3-fluoro-N,2-dimethylprop-2-en-1-imine
CID 134189427
2-(fluoromethyl)-N-methylprop-2-en-1-imine
CID 139563768
N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 139563812
(Z)-N-(1-fluoroethenyl)-2-methylprop-2-en-1-imine
CID 143567891
N-[(E)-2-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine
CID 143939006
N,3-dimethylbut-2-en-1-imine
CID 557468
N-tert-butyl-2-methylprop-2-en-1-imine
CID 10511180
(Z,Z)-N-(1-fluoroethyl)-2-methylbut-2-en-1-imine
CID 144217048
N-butyl-2-methylprop-2-en-1-imine
CID 12755625
N-propylidene-(2-methylpropenylamine)
CID 12941767

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylprop-2-en-1-imine?
The IUPAC name of N,2-dimethylprop-2-en-1-imine (CID 12510993) is N,2-dimethylprop-2-en-1-imine.
What is the SMILES notation for N,2-dimethylprop-2-en-1-imine?
The canonical SMILES for N,2-dimethylprop-2-en-1-imine is C=C(C)/C=N/C.
What is the InChIKey of N,2-dimethylprop-2-en-1-imine?
The InChIKey is DGAZLOSNDROLQS-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9N/c1-5(2)4-6-3/h4H,1H2,2-3H3/b6-4+.
What are the key properties of N,2-dimethylprop-2-en-1-imine?
N,2-dimethylprop-2-en-1-imine has a molecular weight of 83.13 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylprop-2-en-1-imine is sourced from PubChem (CID 12510993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).