N-tert-butyl-1-phenylpropan-1-imine

C13H19N — CID 12694730

IUPACN-tert-butyl-1-phenylpropan-1-imine
SMILESCC/C(=N\C(C)(C)C)c1ccccc1
InChIInChI=1S/C13H19N/c1-5-12(14-13(2,3)4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3/b14-12+
InChIKeyWMUGNBDCMFDQHL-WYMLVPIESA-N
MW189.30 g/mol
LogP3.68
Rot. Bonds2

About N-tert-butyl-1-phenylpropan-1-imine

N-tert-butyl-1-phenylpropan-1-imine (PubChem CID 12694730) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-tert-butyl-1-phenylpropan-1-imine.

Molecular Properties

Compound NameN-tert-butyl-1-phenylpropan-1-imine
PubChem CID12694730
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-tert-butyl-1-phenylpropan-1-imine
SMILESCC/C(=N\C(C)(C)C)c1ccccc1
InChIInChI=1S/C13H19N/c1-5-12(14-13(2,3)4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3/b14-12+
InChIKeyWMUGNBDCMFDQHL-WYMLVPIESA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-1,1-diphenylmethan(15N)imine
CID 170780662
(N-diazonio-C-ethylcarbonimidoyl)benzene
CID 134845103
N-tert-butyl-2,2-dimethyl-1-phenylpropan-1-imine
CID 15739864
1-(1-phenylpropylideneamino)ethanol
CID 174080576
(Z)-N-dipropylboranyl-1-phenylpropan-1-imine
CID 127258245
1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine
CID 155262105
N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide
CID 23272403
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine
CID 122659216
3,5-ditert-butyl-4-hydroxy-N-(1-phenylpropylideneamino)benzamide
CID 139795293
[(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine
CID 122659058
[(Z)-4-methylhex-3-en-3-yl]benzene
CID 142361639

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-phenylpropan-1-imine?
The IUPAC name of N-tert-butyl-1-phenylpropan-1-imine (CID 12694730) is N-tert-butyl-1-phenylpropan-1-imine.
What is the SMILES notation for N-tert-butyl-1-phenylpropan-1-imine?
The canonical SMILES for N-tert-butyl-1-phenylpropan-1-imine is CC/C(=N\C(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-1-phenylpropan-1-imine?
The InChIKey is WMUGNBDCMFDQHL-WYMLVPIESA-N. The full InChI is InChI=1S/C13H19N/c1-5-12(14-13(2,3)4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3/b14-12+.
What are the key properties of N-tert-butyl-1-phenylpropan-1-imine?
N-tert-butyl-1-phenylpropan-1-imine has a molecular weight of 189.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-phenylpropan-1-imine is sourced from PubChem (CID 12694730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).