2,2-dimethyl-N-(1-phenylethyl)propan-1-imine

C13H19N — CID 19708107

IUPAC2,2-dimethyl-N-(1-phenylethyl)propan-1-imine
SMILESCC(/N=C/C(C)(C)C)c1ccccc1
InChIInChI=1S/C13H19N/c1-11(14-10-13(2,3)4)12-8-6-5-7-9-12/h5-11H,1-4H3/b14-10+
InChIKeyBCBRYGJUQUSBKP-GXDHUFHOSA-N
MW189.30 g/mol
LogP3.86
Rot. Bonds2

About 2,2-dimethyl-N-(1-phenylethyl)propan-1-imine

2,2-dimethyl-N-(1-phenylethyl)propan-1-imine (PubChem CID 19708107) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-phenylethyl)propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-phenylethyl)propan-1-imine
PubChem CID19708107
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2,2-dimethyl-N-(1-phenylethyl)propan-1-imine
SMILESCC(/N=C/C(C)(C)C)c1ccccc1
InChIInChI=1S/C13H19N/c1-11(14-10-13(2,3)4)12-8-6-5-7-9-12/h5-11H,1-4H3/b14-10+
InChIKeyBCBRYGJUQUSBKP-GXDHUFHOSA-N
XLogP3.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.86
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-(1-phenylethyl)propan-1-imine?
The IUPAC name of 2,2-dimethyl-N-(1-phenylethyl)propan-1-imine (CID 19708107) is 2,2-dimethyl-N-(1-phenylethyl)propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-N-(1-phenylethyl)propan-1-imine?
The canonical SMILES for 2,2-dimethyl-N-(1-phenylethyl)propan-1-imine is CC(/N=C/C(C)(C)C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(1-phenylethyl)propan-1-imine?
The InChIKey is BCBRYGJUQUSBKP-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H19N/c1-11(14-10-13(2,3)4)12-8-6-5-7-9-12/h5-11H,1-4H3/b14-10+.
What are the key properties of 2,2-dimethyl-N-(1-phenylethyl)propan-1-imine?
2,2-dimethyl-N-(1-phenylethyl)propan-1-imine has a molecular weight of 189.30 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-phenylethyl)propan-1-imine is sourced from PubChem (CID 19708107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).