2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine

C8H15N — CID 90689578

IUPAC2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine
SMILESC=C(C)/N=C/C(C)(C)C
InChIInChI=1S/C8H15N/c1-7(2)9-6-8(3,4)5/h6H,1H2,2-5H3/b9-6+
InChIKeyFFGBPYQLRQQOSY-RMKNXTFCSA-N
MW125.21 g/mol
LogP2.64
Rot. Bonds1

About 2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine

2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine (PubChem CID 90689578) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine
PubChem CID90689578
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine
SMILESC=C(C)/N=C/C(C)(C)C
InChIInChI=1S/C8H15N/c1-7(2)9-6-8(3,4)5/h6H,1H2,2-5H3/b9-6+
InChIKeyFFGBPYQLRQQOSY-RMKNXTFCSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.64
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 2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine?
The IUPAC name of 2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine (CID 90689578) is 2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine.
What is the SMILES notation for 2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine?
The canonical SMILES for 2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine is C=C(C)/N=C/C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine?
The InChIKey is FFGBPYQLRQQOSY-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)9-6-8(3,4)5/h6H,1H2,2-5H3/b9-6+.
What are the key properties of 2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine?
2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-prop-1-en-2-ylpropan-1-imine is sourced from PubChem (CID 90689578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).