4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine

C13H26N2O — CID 66236926

IUPAC4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine
SMILESCC1CCC(N(C)CC2COCC2N)CC1
InChIInChI=1S/C13H26N2O/c1-10-3-5-12(6-4-10)15(2)7-11-8-16-9-13(11)14/h10-13H,3-9,14H2,1-2H3
InChIKeyANRSWWNIDOALTH-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.47
Rot. Bonds3

About 4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine

4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine (PubChem CID 66236926) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine
PubChem CID66236926
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine
SMILESCC1CCC(N(C)CC2COCC2N)CC1
InChIInChI=1S/C13H26N2O/c1-10-3-5-12(6-4-10)15(2)7-11-8-16-9-13(11)14/h10-13H,3-9,14H2,1-2H3
InChIKeyANRSWWNIDOALTH-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine (CID 66236926) is 4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine is CC1CCC(N(C)CC2COCC2N)CC1.
What is the InChIKey of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine?
The InChIKey is ANRSWWNIDOALTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-3-5-12(6-4-10)15(2)7-11-8-16-9-13(11)14/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine?
4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66236926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).