N,1-diphenylbutan-2-imine

C16H17N — CID 13015455

IUPACN,1-diphenylbutan-2-imine
SMILESCC/C(Cc1ccccc1)=N\c1ccccc1
InChIInChI=1S/C16H17N/c1-2-15(13-14-9-5-3-6-10-14)17-16-11-7-4-8-12-16/h3-12H,2,13H2,1H3/b17-15+
InChIKeyQZEVUCLJTKVPRB-BMRADRMJSA-N
MW223.32 g/mol
LogP4.41
Rot. Bonds4

About N,1-diphenylbutan-2-imine

N,1-diphenylbutan-2-imine (PubChem CID 13015455) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is N,1-diphenylbutan-2-imine.

Molecular Properties

Compound NameN,1-diphenylbutan-2-imine
PubChem CID13015455
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC NameN,1-diphenylbutan-2-imine
SMILESCC/C(Cc1ccccc1)=N\c1ccccc1
InChIInChI=1S/C16H17N/c1-2-15(13-14-9-5-3-6-10-14)17-16-11-7-4-8-12-16/h3-12H,2,13H2,1H3/b17-15+
InChIKeyQZEVUCLJTKVPRB-BMRADRMJSA-N
XLogP4.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.41
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,N-dimethyl-N',2-diphenylethanimidamide
CID 525868
1,3-dibromo-N-phenylpropan-2-imine
CID 159189914
2-phenylethyl N-phenylpropanimidothioate
CID 69128548
N-(1-phenylpentan-2-ylidene)hydroxylamine
CID 131860547
2-phenyliminopropane-1,3-diol
CID 159189915
2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
2-[(Z)-1-phenylbutan-2-ylideneamino]oxyacetic acid
CID 79007723
2-methylidenebutylbenzene
CID 10964655
3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide
CID 6074409
N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine
CID 135482640
1-[(Z)-1-phenylbutan-2-ylideneamino]-3-propan-2-ylthiourea
CID 6383696
ethanol;2-phenylguanidine
CID 172840613

Frequently Asked Questions

What is the IUPAC name of N,1-diphenylbutan-2-imine?
The IUPAC name of N,1-diphenylbutan-2-imine (CID 13015455) is N,1-diphenylbutan-2-imine.
What is the SMILES notation for N,1-diphenylbutan-2-imine?
The canonical SMILES for N,1-diphenylbutan-2-imine is CC/C(Cc1ccccc1)=N\c1ccccc1.
What is the InChIKey of N,1-diphenylbutan-2-imine?
The InChIKey is QZEVUCLJTKVPRB-BMRADRMJSA-N. The full InChI is InChI=1S/C16H17N/c1-2-15(13-14-9-5-3-6-10-14)17-16-11-7-4-8-12-16/h3-12H,2,13H2,1H3/b17-15+.
What are the key properties of N,1-diphenylbutan-2-imine?
N,1-diphenylbutan-2-imine has a molecular weight of 223.32 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diphenylbutan-2-imine is sourced from PubChem (CID 13015455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).