N-benzhydryl-1-cyclopropylmethanimine

C17H17N — CID 53415200

IUPACN-benzhydryl-1-cyclopropylmethanimine
SMILESC(=N/C(c1ccccc1)c1ccccc1)\C1CC1
InChIInChI=1S/C17H17N/c1-3-7-15(8-4-1)17(18-13-14-11-12-14)16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2/b18-13+
InChIKeyCAGVBTKHXSHSLV-QGOAFFKASA-N
MW235.33 g/mol
LogP4.26
Rot. Bonds4

About N-benzhydryl-1-cyclopropylmethanimine

N-benzhydryl-1-cyclopropylmethanimine (PubChem CID 53415200) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is N-benzhydryl-1-cyclopropylmethanimine.

Molecular Properties

Compound NameN-benzhydryl-1-cyclopropylmethanimine
PubChem CID53415200
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC NameN-benzhydryl-1-cyclopropylmethanimine
SMILESC(=N/C(c1ccccc1)c1ccccc1)\C1CC1
InChIInChI=1S/C17H17N/c1-3-7-15(8-4-1)17(18-13-14-11-12-14)16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2/b18-13+
InChIKeyCAGVBTKHXSHSLV-QGOAFFKASA-N
XLogP4.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.26
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

1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine
CID 22981639
N'-benzhydryl-N-cyanomethanimidamide
CID 19855236
N,N'-dibenzhydrylethane-1,2-diimine;diphenylmethanamine;oxaldehyde
CID 163733055
1,4-bis[nitroso(phenyl)methyl]benzene
CID 54419533
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-cyclobutylethylbenzene
CID 22024745
(2-cyclopentyl-1-phenylethyl)benzene
CID 138978826
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
(2-bromo-1-cyclopropylethyl)benzene
CID 57168506
N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]ethane-1,2-diimine
CID 148629310
N-benzhydrylmethanimine
CID 164737969
[bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene
CID 126511399

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-cyclopropylmethanimine?
The IUPAC name of N-benzhydryl-1-cyclopropylmethanimine (CID 53415200) is N-benzhydryl-1-cyclopropylmethanimine.
What is the SMILES notation for N-benzhydryl-1-cyclopropylmethanimine?
The canonical SMILES for N-benzhydryl-1-cyclopropylmethanimine is C(=N/C(c1ccccc1)c1ccccc1)\C1CC1.
What is the InChIKey of N-benzhydryl-1-cyclopropylmethanimine?
The InChIKey is CAGVBTKHXSHSLV-QGOAFFKASA-N. The full InChI is InChI=1S/C17H17N/c1-3-7-15(8-4-1)17(18-13-14-11-12-14)16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2/b18-13+.
What are the key properties of N-benzhydryl-1-cyclopropylmethanimine?
N-benzhydryl-1-cyclopropylmethanimine has a molecular weight of 235.33 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-cyclopropylmethanimine is sourced from PubChem (CID 53415200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).