N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine

C18H33NO — CID 66357175

IUPACN-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine
SMILESCNC1CC(OC2CCC(C)CC2)C12CCCCCC2
InChIInChI=1S/C18H33NO/c1-14-7-9-15(10-8-14)20-17-13-16(19-2)18(17)11-5-3-4-6-12-18/h14-17,19H,3-13H2,1-2H3
InChIKeyMVWIZZWXWCWLIM-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.28
Rot. Bonds3

About N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine

N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine (PubChem CID 66357175) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine
PubChem CID66357175
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine
SMILESCNC1CC(OC2CCC(C)CC2)C12CCCCCC2
InChIInChI=1S/C18H33NO/c1-14-7-9-15(10-8-14)20-17-13-16(19-2)18(17)11-5-3-4-6-12-18/h14-17,19H,3-13H2,1-2H3
InChIKeyMVWIZZWXWCWLIM-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine
CID 66351605
3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine
CID 114342840
N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine
CID 66359603
N-methyl-3-(oxan-4-yloxy)spiro[3.4]octan-1-amine
CID 66350894
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
3-cyclohexyloxy-N-ethylspiro[3.5]nonan-1-amine
CID 66358779
N-methyl-3-octoxyspiro[3.5]nonan-1-amine
CID 66356621
3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine
CID 65169715
3-(2,2-difluoroethoxy)-N-methylspiro[3.6]decan-1-amine
CID 82009336
N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.6]decan-1-amine
CID 66357764
N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
CID 66351620

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine?
The IUPAC name of N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine (CID 66357175) is N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine?
The canonical SMILES for N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine is CNC1CC(OC2CCC(C)CC2)C12CCCCCC2.
What is the InChIKey of N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine?
The InChIKey is MVWIZZWXWCWLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-14-7-9-15(10-8-14)20-17-13-16(19-2)18(17)11-5-3-4-6-12-18/h14-17,19H,3-13H2,1-2H3.
What are the key properties of N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine?
N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine is sourced from PubChem (CID 66357175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).