1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine

C17H25N — CID 164922208

IUPAC1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine
SMILESCCC/C(=N\C(C)(C)c1ccccc1)C1(C)CC1
InChIInChI=1S/C17H25N/c1-5-9-15(17(4)12-13-17)18-16(2,3)14-10-7-6-8-11-14/h6-8,10-11H,5,9,12-13H2,1-4H3/b18-15+
InChIKeyQRBAYGGBQBJUIF-OBGWFSINSA-N
MW243.39 g/mol
LogP4.96
Rot. Bonds5

About 1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine

1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine (PubChem CID 164922208) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine
PubChem CID164922208
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine
SMILESCCC/C(=N\C(C)(C)c1ccccc1)C1(C)CC1
InChIInChI=1S/C17H25N/c1-5-9-15(17(4)12-13-17)18-16(2,3)14-10-7-6-8-11-14/h6-8,10-11H,5,9,12-13H2,1-4H3/b18-15+
InChIKeyQRBAYGGBQBJUIF-OBGWFSINSA-N
XLogP4.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.96
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 1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine?
The IUPAC name of 1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine (CID 164922208) is 1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine.
What is the SMILES notation for 1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine?
The canonical SMILES for 1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine is CCC/C(=N\C(C)(C)c1ccccc1)C1(C)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine?
The InChIKey is QRBAYGGBQBJUIF-OBGWFSINSA-N. The full InChI is InChI=1S/C17H25N/c1-5-9-15(17(4)12-13-17)18-16(2,3)14-10-7-6-8-11-14/h6-8,10-11H,5,9,12-13H2,1-4H3/b18-15+.
What are the key properties of 1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine?
1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine has a molecular weight of 243.39 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine is sourced from PubChem (CID 164922208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).