ethane;N-(2-methylprop-1-enyl)propan-2-imine

C11H25N — CID 143125109

IUPACethane;N-(2-methylprop-1-enyl)propan-2-imine
SMILESCC.CC.CC(C)=CN=C(C)C
InChIInChI=1S/C7H13N.2C2H6/c1-6(2)5-8-7(3)4;2*1-2/h5H,1-4H3;2*1-2H3
InChIKeyWDPVJBAOAGTHOU-UHFFFAOYSA-N
MW171.33 g/mol
LogP4.44
Rot. Bonds1

About ethane;N-(2-methylprop-1-enyl)propan-2-imine

ethane;N-(2-methylprop-1-enyl)propan-2-imine (PubChem CID 143125109) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is ethane;N-(2-methylprop-1-enyl)propan-2-imine.

Molecular Properties

Compound Nameethane;N-(2-methylprop-1-enyl)propan-2-imine
PubChem CID143125109
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Nameethane;N-(2-methylprop-1-enyl)propan-2-imine
SMILESCC.CC.CC(C)=CN=C(C)C
InChIInChI=1S/C7H13N.2C2H6/c1-6(2)5-8-7(3)4;2*1-2/h5H,1-4H3;2*1-2H3
InChIKeyWDPVJBAOAGTHOU-UHFFFAOYSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 54.44
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 ethane;N-(2-methylprop-1-enyl)propan-2-imine?
The IUPAC name of ethane;N-(2-methylprop-1-enyl)propan-2-imine (CID 143125109) is ethane;N-(2-methylprop-1-enyl)propan-2-imine.
What is the SMILES notation for ethane;N-(2-methylprop-1-enyl)propan-2-imine?
The canonical SMILES for ethane;N-(2-methylprop-1-enyl)propan-2-imine is CC.CC.CC(C)=CN=C(C)C.
What is the InChIKey of ethane;N-(2-methylprop-1-enyl)propan-2-imine?
The InChIKey is WDPVJBAOAGTHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.2C2H6/c1-6(2)5-8-7(3)4;2*1-2/h5H,1-4H3;2*1-2H3.
What are the key properties of ethane;N-(2-methylprop-1-enyl)propan-2-imine?
ethane;N-(2-methylprop-1-enyl)propan-2-imine has a molecular weight of 171.33 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylprop-1-enyl)propan-2-imine is sourced from PubChem (CID 143125109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).