3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline

C18H28N2O — CID 102896490

IUPAC3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
SMILESCN(CC1CCC2(CCCCC2)O1)c1cccc(CN)c1
InChIInChI=1S/C18H28N2O/c1-20(16-7-5-6-15(12-16)13-19)14-17-8-11-18(21-17)9-3-2-4-10-18/h5-7,12,17H,2-4,8-11,13-14,19H2,1H3
InChIKeyWTNAOVWKGODZQT-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.46
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline

3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline (PubChem CID 102896490) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
PubChem CID102896490
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
SMILESCN(CC1CCC2(CCCCC2)O1)c1cccc(CN)c1
InChIInChI=1S/C18H28N2O/c1-20(16-7-5-6-15(12-16)13-19)14-17-8-11-18(21-17)9-3-2-4-10-18/h5-7,12,17H,2-4,8-11,13-14,19H2,1H3
InChIKeyWTNAOVWKGODZQT-UHFFFAOYSA-N
XLogP3.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]benzonitrile
CID 102898003
[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896068
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896446
1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine
CID 102901771
2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine
CID 102899674
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine
CID 102901200
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine
CID 102899508
N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide
CID 62970442
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline
CID 102813812
2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900869
1-[3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanyl)phenyl]ethanamine
CID 102901168

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline (CID 102896490) is 3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline is CN(CC1CCC2(CCCCC2)O1)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline?
The InChIKey is WTNAOVWKGODZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(16-7-5-6-15(12-16)13-19)14-17-8-11-18(21-17)9-3-2-4-10-18/h5-7,12,17H,2-4,8-11,13-14,19H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline?
3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline has a molecular weight of 288.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline is sourced from PubChem (CID 102896490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).