1-benzyl-N,N-dimethylazetidin-3-amine

C12H18N2 — CID 53414031

IUPAC1-benzyl-N,N-dimethylazetidin-3-amine
SMILESCN(C)C1CN(Cc2ccccc2)C1
InChIInChI=1S/C12H18N2/c1-13(2)12-9-14(10-12)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyFNGYJCYWVLNXOW-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.43
Rot. Bonds3

About 1-benzyl-N,N-dimethylazetidin-3-amine

1-benzyl-N,N-dimethylazetidin-3-amine (PubChem CID 53414031) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-benzyl-N,N-dimethylazetidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N,N-dimethylazetidin-3-amine
PubChem CID53414031
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-benzyl-N,N-dimethylazetidin-3-amine
SMILESCN(C)C1CN(Cc2ccccc2)C1
InChIInChI=1S/C12H18N2/c1-13(2)12-9-14(10-12)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyFNGYJCYWVLNXOW-UHFFFAOYSA-N
XLogP1.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylazetidin-3-yl)-N-methylacetamide
CID 141369183
4-[[3-(dimethylamino)azetidin-1-yl]methyl]benzonitrile
CID 118001381
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
4-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]benzoic acid
CID 122035291
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
(3aS,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 11831337
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 88764245
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-dimethylazetidin-3-amine?
The IUPAC name of 1-benzyl-N,N-dimethylazetidin-3-amine (CID 53414031) is 1-benzyl-N,N-dimethylazetidin-3-amine.
What is the SMILES notation for 1-benzyl-N,N-dimethylazetidin-3-amine?
The canonical SMILES for 1-benzyl-N,N-dimethylazetidin-3-amine is CN(C)C1CN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N,N-dimethylazetidin-3-amine?
The InChIKey is FNGYJCYWVLNXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-13(2)12-9-14(10-12)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3.
What are the key properties of 1-benzyl-N,N-dimethylazetidin-3-amine?
1-benzyl-N,N-dimethylazetidin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-dimethylazetidin-3-amine is sourced from PubChem (CID 53414031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).