1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine

C15H29NO — CID 107191936

IUPAC1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(C1CCCOC1)C1CCCCC1(C)C
InChIInChI=1S/C15H29NO/c1-15(2)9-5-4-8-13(15)14(16-3)12-7-6-10-17-11-12/h12-14,16H,4-11H2,1-3H3
InChIKeyVUZZSWGOGKMIRJ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.22
Rot. Bonds3

About 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine

1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 107191936) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID107191936
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(C1CCCOC1)C1CCCCC1(C)C
InChIInChI=1S/C15H29NO/c1-15(2)9-5-4-8-13(15)14(16-3)12-7-6-10-17-11-12/h12-14,16H,4-11H2,1-3H3
InChIKeyVUZZSWGOGKMIRJ-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine (CID 107191936) is 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine is CNC(C1CCCOC1)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is VUZZSWGOGKMIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2)9-5-4-8-13(15)14(16-3)12-7-6-10-17-11-12/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine?
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 239.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 107191936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).