3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine

C16H32N2O — CID 166035375

IUPAC3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine
SMILESCOC1CC(N(C)CC2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C16H32N2O/c1-13(2)11-18-7-5-14(6-8-18)12-17(3)15-9-16(10-15)19-4/h13-16H,5-12H2,1-4H3
InChIKeyXMCCNXLMZCGYRU-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.46
Rot. Bonds6

About 3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine

3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine (PubChem CID 166035375) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine
PubChem CID166035375
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine
SMILESCOC1CC(N(C)CC2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C16H32N2O/c1-13(2)11-18-7-5-14(6-8-18)12-17(3)15-9-16(10-15)19-4/h13-16H,5-12H2,1-4H3
InChIKeyXMCCNXLMZCGYRU-UHFFFAOYSA-N
XLogP2.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine
CID 156885185
N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine
CID 176629357
N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 138728386
methane;N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 162017171
4-methoxy-1-(2-methylpropyl)piperidine;2-methylpropylcyclobutane
CID 163401563
N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide
CID 171540237
3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine
CID 146640321
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
N-[(4-ethylpiperazin-1-yl)methyl]-3-methoxy-N-methylcyclobutan-1-amine
CID 171641186
N-methyl-N-(2-methylbutyl)-3-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]cyclobutan-1-amine
CID 167242628
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine
CID 171641475
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine (CID 166035375) is 3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine is COC1CC(N(C)CC2CCN(CC(C)C)CC2)C1.
What is the InChIKey of 3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine?
The InChIKey is XMCCNXLMZCGYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)11-18-7-5-14(6-8-18)12-17(3)15-9-16(10-15)19-4/h13-16H,5-12H2,1-4H3.
What are the key properties of 3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine?
3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 166035375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).