N-methoxy-3-methylcyclohexan-1-amine

C8H17NO — CID 64973754

IUPACN-methoxy-3-methylcyclohexan-1-amine
SMILESCONC1CCCC(C)C1
InChIInChI=1S/C8H17NO/c1-7-4-3-5-8(6-7)9-10-2/h7-9H,3-6H2,1-2H3
InChIKeyZGTJXNGKQCSLFS-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.72
Rot. Bonds2

About N-methoxy-3-methylcyclohexan-1-amine

N-methoxy-3-methylcyclohexan-1-amine (PubChem CID 64973754) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-methoxy-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methoxy-3-methylcyclohexan-1-amine
PubChem CID64973754
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-methoxy-3-methylcyclohexan-1-amine
SMILESCONC1CCCC(C)C1
InChIInChI=1S/C8H17NO/c1-7-4-3-5-8(6-7)9-10-2/h7-9H,3-6H2,1-2H3
InChIKeyZGTJXNGKQCSLFS-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-methoxy-3-methylcyclohexan-1-amine?
The IUPAC name of N-methoxy-3-methylcyclohexan-1-amine (CID 64973754) is N-methoxy-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-methoxy-3-methylcyclohexan-1-amine?
The canonical SMILES for N-methoxy-3-methylcyclohexan-1-amine is CONC1CCCC(C)C1.
What is the InChIKey of N-methoxy-3-methylcyclohexan-1-amine?
The InChIKey is ZGTJXNGKQCSLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-4-3-5-8(6-7)9-10-2/h7-9H,3-6H2,1-2H3.
What are the key properties of N-methoxy-3-methylcyclohexan-1-amine?
N-methoxy-3-methylcyclohexan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-methylcyclohexan-1-amine is sourced from PubChem (CID 64973754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).