1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine

C10H21NO — CID 62108000

IUPAC1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
SMILESCNCC1(OC)CCC(C)CC1
InChIInChI=1S/C10H21NO/c1-9-4-6-10(12-3,7-5-9)8-11-2/h9,11H,4-8H2,1-3H3
InChIKeyURNZHTRFZHYPMZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds3

About 1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine

1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine (PubChem CID 62108000) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
PubChem CID62108000
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
SMILESCNCC1(OC)CCC(C)CC1
InChIInChI=1S/C10H21NO/c1-9-4-6-10(12-3,7-5-9)8-11-2/h9,11H,4-8H2,1-3H3
InChIKeyURNZHTRFZHYPMZ-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine (CID 62108000) is 1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine is CNCC1(OC)CCC(C)CC1.
What is the InChIKey of 1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine?
The InChIKey is URNZHTRFZHYPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9-4-6-10(12-3,7-5-9)8-11-2/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine?
1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 62108000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).