N-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine

C16H29NO2 — CID 105016944

IUPACN-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCNC(C1COC(C)C1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO2/c1-12-9-14(11-18-12)15(17-2)13-5-8-19-16(10-13)6-3-4-7-16/h12-15,17H,3-11H2,1-2H3
InChIKeyTXIDPOYTYHURDU-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.74
Rot. Bonds3

About N-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine

N-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 105016944) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
PubChem CID105016944
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCNC(C1COC(C)C1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO2/c1-12-9-14(11-18-12)15(17-2)13-5-8-19-16(10-13)6-3-4-7-16/h12-15,17H,3-11H2,1-2H3
InChIKeyTXIDPOYTYHURDU-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914062
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016820
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 115336779
1-(4-ethylcyclohexyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79912030
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 79911771
1-(1,4-dithian-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79965869
N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79915589
2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169206
[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105201946
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 79911605
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105012176
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine (CID 105016944) is N-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine is CNC(C1COC(C)C1)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is TXIDPOYTYHURDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12-9-14(11-18-12)15(17-2)13-5-8-19-16(10-13)6-3-4-7-16/h12-15,17H,3-11H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine?
N-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 267.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 105016944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).