N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine

C18H28N2O — CID 105169862

IUPACN-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCNC(c1ccc(C)nc1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H28N2O/c1-14-6-7-16(13-20-14)17(19-2)15-8-11-21-18(12-15)9-4-3-5-10-18/h6-7,13,15,17,19H,3-5,8-12H2,1-2H3
InChIKeyAVDRSAKWUNYPAQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.78
Rot. Bonds3

About N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine

N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 105169862) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
PubChem CID105169862
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCNC(c1ccc(C)nc1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H28N2O/c1-14-6-7-16(13-20-14)17(19-2)15-8-11-21-18(12-15)9-4-3-5-10-18/h6-7,13,15,17,19H,3-5,8-12H2,1-2H3
InChIKeyAVDRSAKWUNYPAQ-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-pyridazin-4-ylmethanamine
CID 105169878
N-methyl-1-(2-methyl-4-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106755656
1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016685
1-cycloheptyl-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 65400041
1-(3,4-dichlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81491757
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169889
1-(3-chloro-4-methylphenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010373
N-methyl-1-(4-methyl-2-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914962
1-(3-fluorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79906920
N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016176
N-methyl-1-(1-methylpyrazol-4-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911590
1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914897

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine (CID 105169862) is N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine is CNC(c1ccc(C)nc1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is AVDRSAKWUNYPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-6-7-16(13-20-14)17(19-2)15-8-11-21-18(12-15)9-4-3-5-10-18/h6-7,13,15,17,19H,3-5,8-12H2,1-2H3.
What are the key properties of N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 288.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 105169862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).