2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine

C9H20N2O — CID 114396562

IUPAC2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine
SMILESCON(C)CC1CCCCC1N
InChIInChI=1S/C9H20N2O/c1-11(12-2)7-8-5-3-4-6-9(8)10/h8-9H,3-7,10H2,1-2H3
InChIKeyKWBZILNOWUHCPI-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.00
Rot. Bonds3

About 2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine

2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine (PubChem CID 114396562) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine
PubChem CID114396562
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine
SMILESCON(C)CC1CCCCC1N
InChIInChI=1S/C9H20N2O/c1-11(12-2)7-8-5-3-4-6-9(8)10/h8-9H,3-7,10H2,1-2H3
InChIKeyKWBZILNOWUHCPI-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine (CID 114396562) is 2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine is CON(C)CC1CCCCC1N.
What is the InChIKey of 2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is KWBZILNOWUHCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11(12-2)7-8-5-3-4-6-9(8)10/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine?
2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methoxy(methyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 114396562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).