2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine

C14H28N2O — CID 116870438

IUPAC2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine
SMILESCN1CCCC(C2(CC(C)(C)CN)COC2)C1
InChIInChI=1S/C14H28N2O/c1-13(2,9-15)8-14(10-17-11-14)12-5-4-6-16(3)7-12/h12H,4-11,15H2,1-3H3
InChIKeyQQZGOGOYVAWKCK-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.72
Rot. Bonds4

About 2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine

2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine (PubChem CID 116870438) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine
PubChem CID116870438
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine
SMILESCN1CCCC(C2(CC(C)(C)CN)COC2)C1
InChIInChI=1S/C14H28N2O/c1-13(2,9-15)8-14(10-17-11-14)12-5-4-6-16(3)7-12/h12H,4-11,15H2,1-3H3
InChIKeyQQZGOGOYVAWKCK-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone
CID 116873792
2-methyl-1-(1-methylpiperidin-3-yl)cyclopropan-1-amine
CID 84653235
2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine
CID 116853188
2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine
CID 115200230
2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine
CID 116869961
4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 115157360
1-(1-methylpiperidin-3-yl)cyclobutan-1-ol
CID 115073858
2,4,4-trimethyl-2-(1-methylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227847
1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
CID 155794049
2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 115204269
[1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine
CID 116929365
4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide
CID 116844613

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine (CID 116870438) is 2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine is CN1CCCC(C2(CC(C)(C)CN)COC2)C1.
What is the InChIKey of 2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine?
The InChIKey is QQZGOGOYVAWKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(2,9-15)8-14(10-17-11-14)12-5-4-6-16(3)7-12/h12H,4-11,15H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine?
2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine is sourced from PubChem (CID 116870438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).