N-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine

C11H21NO — CID 131130611

IUPACN-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine
SMILESCN(CC1COC1)C1CCCCC1
InChIInChI=1S/C11H21NO/c1-12(7-10-8-13-9-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3
InChIKeyVRDZOISYXZOVTG-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds3

About N-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine

N-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine (PubChem CID 131130611) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine
PubChem CID131130611
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine
SMILESCN(CC1COC1)C1CCCCC1
InChIInChI=1S/C11H21NO/c1-12(7-10-8-13-9-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3
InChIKeyVRDZOISYXZOVTG-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine?
The IUPAC name of N-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine (CID 131130611) is N-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine?
The canonical SMILES for N-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine is CN(CC1COC1)C1CCCCC1.
What is the InChIKey of N-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine?
The InChIKey is VRDZOISYXZOVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-12(7-10-8-13-9-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3.
What are the key properties of N-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine?
N-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine has a molecular weight of 183.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxetan-3-ylmethyl)cyclohexanamine is sourced from PubChem (CID 131130611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).