N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine

C13H26N2O — CID 63622541

IUPACN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine
SMILESCC1CCCC(CNC2COC2)(N(C)C)C1
InChIInChI=1S/C13H26N2O/c1-11-5-4-6-13(7-11,15(2)3)10-14-12-8-16-9-12/h11-12,14H,4-10H2,1-3H3
InChIKeyQUPUAQWJXMBCKT-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds4

About N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine (PubChem CID 63622541) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine
PubChem CID63622541
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine
SMILESCC1CCCC(CNC2COC2)(N(C)C)C1
InChIInChI=1S/C13H26N2O/c1-11-5-4-6-13(7-11,15(2)3)10-14-12-8-16-9-12/h11-12,14H,4-10H2,1-3H3
InChIKeyQUPUAQWJXMBCKT-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine?
The IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine (CID 63622541) is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine.
What is the SMILES notation for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine?
The canonical SMILES for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine is CC1CCCC(CNC2COC2)(N(C)C)C1.
What is the InChIKey of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine?
The InChIKey is QUPUAQWJXMBCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-5-4-6-13(7-11,15(2)3)10-14-12-8-16-9-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine?
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine is sourced from PubChem (CID 63622541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).