4-[(methoxyamino)methyl]cyclohexan-1-amine

C8H18N2O — CID 163922118

IUPAC4-[(methoxyamino)methyl]cyclohexan-1-amine
SMILESCONCC1CCC(N)CC1
InChIInChI=1S/C8H18N2O/c1-11-10-6-7-2-4-8(9)5-3-7/h7-8,10H,2-6,9H2,1H3
InChIKeyRBHGSCMYZAFXPK-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.65
Rot. Bonds3

About 4-[(methoxyamino)methyl]cyclohexan-1-amine

4-[(methoxyamino)methyl]cyclohexan-1-amine (PubChem CID 163922118) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-[(methoxyamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(methoxyamino)methyl]cyclohexan-1-amine
PubChem CID163922118
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name4-[(methoxyamino)methyl]cyclohexan-1-amine
SMILESCONCC1CCC(N)CC1
InChIInChI=1S/C8H18N2O/c1-11-10-6-7-2-4-8(9)5-3-7/h7-8,10H,2-6,9H2,1H3
InChIKeyRBHGSCMYZAFXPK-UHFFFAOYSA-N
XLogP0.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
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 4-[(methoxyamino)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(methoxyamino)methyl]cyclohexan-1-amine (CID 163922118) is 4-[(methoxyamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(methoxyamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(methoxyamino)methyl]cyclohexan-1-amine is CONCC1CCC(N)CC1.
What is the InChIKey of 4-[(methoxyamino)methyl]cyclohexan-1-amine?
The InChIKey is RBHGSCMYZAFXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-11-10-6-7-2-4-8(9)5-3-7/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 4-[(methoxyamino)methyl]cyclohexan-1-amine?
4-[(methoxyamino)methyl]cyclohexan-1-amine has a molecular weight of 158.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(methoxyamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 163922118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).