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1-Methoxy-4-methylcyclohexanemethanamine

C9H19NO — CID 15495983

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(1-methoxy-4-methylcyclohexyl)methanamine
SMILESCOC1(CN)CCC(C)CC1
InChIInChI=1S/C9H19NO/c1-8-3-5-9(7-10,11-2)6-4-8/h8H,3-7,10H2,1-2H3
InChIKeyNOUGKWPQTLNKSX-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds2

About 1-Methoxy-4-methylcyclohexanemethanamine

1-Methoxy-4-methylcyclohexanemethanamine (PubChem CID 15495983) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (1-methoxy-4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-Methoxy-4-methylcyclohexanemethanamine
PubChem CID15495983
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(1-methoxy-4-methylcyclohexyl)methanamine
SMILESCOC1(CN)CCC(C)CC1
InChIInChI=1S/C9H19NO/c1-8-3-5-9(7-10,11-2)6-4-8/h8H,3-7,10H2,1-2H3
InChIKeyNOUGKWPQTLNKSX-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-Methoxy-4-methylcyclohexanemethanamine?
The IUPAC name of 1-Methoxy-4-methylcyclohexanemethanamine (CID 15495983) is (1-methoxy-4-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-Methoxy-4-methylcyclohexanemethanamine?
The canonical SMILES for 1-Methoxy-4-methylcyclohexanemethanamine is COC1(CN)CCC(C)CC1.
What is the InChIKey of 1-Methoxy-4-methylcyclohexanemethanamine?
The InChIKey is NOUGKWPQTLNKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8-3-5-9(7-10,11-2)6-4-8/h8H,3-7,10H2,1-2H3.
What are the key properties of 1-Methoxy-4-methylcyclohexanemethanamine?
1-Methoxy-4-methylcyclohexanemethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Methoxy-4-methylcyclohexanemethanamine is sourced from PubChem (CID 15495983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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