[(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine

C13H20N2 — CID 122659058

IUPAC[(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine
SMILESCC(C)(C)C/C(=N\CN)c1ccccc1
InChIInChI=1S/C13H20N2/c1-13(2,3)9-12(15-10-14)11-7-5-4-6-8-11/h4-8H,9-10,14H2,1-3H3/b15-12+
InChIKeyAJWUELJASRUVJL-NTCAYCPXSA-N
MW204.32 g/mol
LogP2.83
Rot. Bonds3

About [(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine

[(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine (PubChem CID 122659058) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is [(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine.

Molecular Properties

Compound Name[(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine
PubChem CID122659058
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name[(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine
SMILESCC(C)(C)C/C(=N\CN)c1ccccc1
InChIInChI=1S/C13H20N2/c1-13(2,3)9-12(15-10-14)11-7-5-4-6-8-11/h4-8H,9-10,14H2,1-3H3/b15-12+
InChIKeyAJWUELJASRUVJL-NTCAYCPXSA-N
XLogP2.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide
CID 59351039
N-tert-butyl-1-phenylpropan-1-imine
CID 12694730
N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
tert-butyl benzoate
CID 135038599
N-tert-butyl-1,1-diphenylmethan(15N)imine
CID 170780662
2-phenyl-2-phenyliminoethanamine
CID 118895747
2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine
CID 45034354
(3-oxo-3-phenylpropyl) 3,3-dimethylbutanoate
CID 70462987
benzyl (NZ)-N-[(3R)-3-hydroxy-3-methyl-4-oxo-1-phenylpentylidene]carbamate
CID 177423716
3-amino-2-ethyl-3-methyl-1-phenylbutan-1-one
CID 23620918
3-amino-3-hydroxy-1-phenylbutan-1-one
CID 141444107
1,2-diphenylethylidenehydrazine;ethane
CID 91449631

Frequently Asked Questions

What is the IUPAC name of [(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine?
The IUPAC name of [(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine (CID 122659058) is [(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine.
What is the SMILES notation for [(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine?
The canonical SMILES for [(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine is CC(C)(C)C/C(=N\CN)c1ccccc1.
What is the InChIKey of [(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine?
The InChIKey is AJWUELJASRUVJL-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(2,3)9-12(15-10-14)11-7-5-4-6-8-11/h4-8H,9-10,14H2,1-3H3/b15-12+.
What are the key properties of [(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine?
[(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine has a molecular weight of 204.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3,3-dimethyl-1-phenylbutylidene)amino]methanamine is sourced from PubChem (CID 122659058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).