N,2-dimethylpropan-1-imine

C5H11N — CID 638175

IUPACN,2-dimethylpropan-1-imine
SMILESC/N=C/C(C)C
InChIInChI=1S/C5H11N/c1-5(2)4-6-3/h4-5H,1-3H3/b6-4+
InChIKeyFQIMPUOQPQNHRX-GQCTYLIASA-N
MW85.15 g/mol
LogP1.34
Rot. Bonds1

About N,2-dimethylpropan-1-imine

N,2-dimethylpropan-1-imine (PubChem CID 638175) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is N,2-dimethylpropan-1-imine.

Molecular Properties

Compound NameN,2-dimethylpropan-1-imine
PubChem CID638175
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC NameN,2-dimethylpropan-1-imine
SMILESC/N=C/C(C)C
InChIInChI=1S/C5H11N/c1-5(2)4-6-3/h4-5H,1-3H3/b6-4+
InChIKeyFQIMPUOQPQNHRX-GQCTYLIASA-N
XLogP1.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropan-1-imine?
The IUPAC name of N,2-dimethylpropan-1-imine (CID 638175) is N,2-dimethylpropan-1-imine.
What is the SMILES notation for N,2-dimethylpropan-1-imine?
The canonical SMILES for N,2-dimethylpropan-1-imine is C/N=C/C(C)C.
What is the InChIKey of N,2-dimethylpropan-1-imine?
The InChIKey is FQIMPUOQPQNHRX-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11N/c1-5(2)4-6-3/h4-5H,1-3H3/b6-4+.
What are the key properties of N,2-dimethylpropan-1-imine?
N,2-dimethylpropan-1-imine has a molecular weight of 85.15 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropan-1-imine is sourced from PubChem (CID 638175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).