1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine

C20H24N2 — CID 142975175

IUPAC1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine
SMILESC=CC1(NCC)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H24N2/c1-3-20(21-4-2)15-22(16-20)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h3,5-14,19,21H,1,4,15-16H2,2H3
InChIKeyVECDXYWFVBLYRN-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.63
Rot. Bonds6

About 1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine

1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine (PubChem CID 142975175) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine.

Molecular Properties

Compound Name1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine
PubChem CID142975175
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine
SMILESC=CC1(NCC)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H24N2/c1-3-20(21-4-2)15-22(16-20)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h3,5-14,19,21H,1,4,15-16H2,2H3
InChIKeyVECDXYWFVBLYRN-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid
CID 66953063
3-(anilinomethyl)-1-benzhydrylazetidin-3-ol
CID 68555934
N-[(1-benzhydryl-3-hydroxyazetidin-3-yl)methyl]-methylboronamidic acid
CID 20668520
1-(1-benzhydryl-3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine
CID 122504704
5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane
CID 167092209
1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol
CID 89059165
1-benzhydryl-3,3-dimethylazetidine;1-benzhydryl-3-methylazetidin-3-ol;3-methylazetidin-3-ol
CID 158144824
(1-benzhydryl-3-iodoazetidin-3-yl) methanesulfonate
CID 129157872
(1S,5S)-3-benzhydryl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 6355536
4-benzhydryl-1-ethyl-1-propan-2-ylpiperazin-1-ium iodide
CID 3030230
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-benzhydryl-4-ethenylpiperazine;3-oxobutanoic acid
CID 67843448

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine?
The IUPAC name of 1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine (CID 142975175) is 1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine.
What is the SMILES notation for 1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine?
The canonical SMILES for 1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine is C=CC1(NCC)CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine?
The InChIKey is VECDXYWFVBLYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-3-20(21-4-2)15-22(16-20)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h3,5-14,19,21H,1,4,15-16H2,2H3.
What are the key properties of 1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine?
1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine has a molecular weight of 292.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-ethenyl-N-ethylazetidin-3-amine is sourced from PubChem (CID 142975175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).