N-methyl-N-(4-methylcyclohexyl)oxetan-3-amine

C11H21NO — CID 131177043

IUPACN-methyl-N-(4-methylcyclohexyl)oxetan-3-amine
SMILESCC1CCC(N(C)C2COC2)CC1
InChIInChI=1S/C11H21NO/c1-9-3-5-10(6-4-9)12(2)11-7-13-8-11/h9-11H,3-8H2,1-2H3
InChIKeyDPIWVODMSMFMGI-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds2

About N-methyl-N-(4-methylcyclohexyl)oxetan-3-amine

N-methyl-N-(4-methylcyclohexyl)oxetan-3-amine (PubChem CID 131177043) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)oxetan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)oxetan-3-amine
PubChem CID131177043
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-methyl-N-(4-methylcyclohexyl)oxetan-3-amine
SMILESCC1CCC(N(C)C2COC2)CC1
InChIInChI=1S/C11H21NO/c1-9-3-5-10(6-4-9)12(2)11-7-13-8-11/h9-11H,3-8H2,1-2H3
InChIKeyDPIWVODMSMFMGI-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-(4-methylcyclohexyl)oxetan-3-amine?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)oxetan-3-amine (CID 131177043) is N-methyl-N-(4-methylcyclohexyl)oxetan-3-amine.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)oxetan-3-amine?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)oxetan-3-amine is CC1CCC(N(C)C2COC2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)oxetan-3-amine?
The InChIKey is DPIWVODMSMFMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-3-5-10(6-4-9)12(2)11-7-13-8-11/h9-11H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)oxetan-3-amine?
N-methyl-N-(4-methylcyclohexyl)oxetan-3-amine has a molecular weight of 183.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)oxetan-3-amine is sourced from PubChem (CID 131177043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).