1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine

C16H31NO2 — CID 102848172

IUPAC1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
SMILESCOCC(NCC1CCC2(CCCCC2)O1)C(C)C
InChIInChI=1S/C16H31NO2/c1-13(2)15(12-18-3)17-11-14-7-10-16(19-14)8-5-4-6-9-16/h13-15,17H,4-12H2,1-3H3
InChIKeyMENYTXVSLPGGMW-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds6

About 1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine

1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine (PubChem CID 102848172) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
PubChem CID102848172
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
SMILESCOCC(NCC1CCC2(CCCCC2)O1)C(C)C
InChIInChI=1S/C16H31NO2/c1-13(2)15(12-18-3)17-11-14-7-10-16(19-14)8-5-4-6-9-16/h13-15,17H,4-12H2,1-3H3
InChIKeyMENYTXVSLPGGMW-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
1-Cyclohexyl-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3144577
4-Methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 75504707
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896748
3,3,3-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897265
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897299
2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897656
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897659
5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
CID 102897661
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 103524797
2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 105910762
2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 114224850

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine (CID 102848172) is 1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine is COCC(NCC1CCC2(CCCCC2)O1)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
The InChIKey is MENYTXVSLPGGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13(2)15(12-18-3)17-11-14-7-10-16(19-14)8-5-4-6-9-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine?
1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 102848172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).