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

C19H29NO — CID 105016685

IUPAC1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCNC(c1cc(C)cc(C)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C19H29NO/c1-14-10-15(2)12-17(11-14)18(20-3)16-6-9-21-19(13-16)7-4-5-8-19/h10-12,16,18,20H,4-9,13H2,1-3H3
InChIKeyNYTVCTQNAQSZKO-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.30
Rot. Bonds3

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

1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 105016685) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
PubChem CID105016685
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCNC(c1cc(C)cc(C)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C19H29NO/c1-14-10-15(2)12-17(11-14)18(20-3)16-6-9-21-19(13-16)7-4-5-8-19/h10-12,16,18,20H,4-9,13H2,1-3H3
InChIKeyNYTVCTQNAQSZKO-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105257533
N-methyl-1-(2-methyl-4-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106755656
1-(3-chloro-4-methylphenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010373
N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169862
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
1-(3,4-dichlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81491757
1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914897
1-(5-iodothiophen-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010075
N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 104804989
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-pyridazin-4-ylmethanamine
CID 105169878
N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016176

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine (CID 105016685) is 1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine is CNC(c1cc(C)cc(C)c1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is NYTVCTQNAQSZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14-10-15(2)12-17(11-14)18(20-3)16-6-9-21-19(13-16)7-4-5-8-19/h10-12,16,18,20H,4-9,13H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine?
1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 287.45 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 105016685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).