1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine

C10H20N2O2 — CID 103354274

IUPAC1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine
SMILESCOC1(OC)CN(CC2(N)CCC2)C1
InChIInChI=1S/C10H20N2O2/c1-13-10(14-2)7-12(8-10)6-9(11)4-3-5-9/h3-8,11H2,1-2H3
InChIKeyYATDQLHNKFVYGT-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.17
Rot. Bonds4

About 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine

1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine (PubChem CID 103354274) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine
PubChem CID103354274
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine
SMILESCOC1(OC)CN(CC2(N)CCC2)C1
InChIInChI=1S/C10H20N2O2/c1-13-10(14-2)7-12(8-10)6-9(11)4-3-5-9/h3-8,11H2,1-2H3
InChIKeyYATDQLHNKFVYGT-UHFFFAOYSA-N
XLogP0.17
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol
CID 104549899
1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 107393225
1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine
CID 81169692
1-[(4-tert-butylpiperazin-1-yl)methyl]cyclobutan-1-amine
CID 81170801
1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine
CID 114411039
1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
CID 28745435
1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 130640668
3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine
CID 79686586
1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine
CID 130684129
1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 63625982
1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine
CID 106314909
2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine
CID 79677531

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine (CID 103354274) is 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine is COC1(OC)CN(CC2(N)CCC2)C1.
What is the InChIKey of 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine?
The InChIKey is YATDQLHNKFVYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-13-10(14-2)7-12(8-10)6-9(11)4-3-5-9/h3-8,11H2,1-2H3.
What are the key properties of 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine?
1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine has a molecular weight of 200.28 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 103354274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).