3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine

C12H25NO — CID 62604714

IUPAC3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine
SMILESCNC(CCOC)C1CCC(C)CC1
InChIInChI=1S/C12H25NO/c1-10-4-6-11(7-5-10)12(13-2)8-9-14-3/h10-13H,4-9H2,1-3H3
InChIKeyWBNIADGSXLKTDY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds5

About 3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine

3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine (PubChem CID 62604714) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine
PubChem CID62604714
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine
SMILESCNC(CCOC)C1CCC(C)CC1
InChIInChI=1S/C12H25NO/c1-10-4-6-11(7-5-10)12(13-2)8-9-14-3/h10-13H,4-9H2,1-3H3
InChIKeyWBNIADGSXLKTDY-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-methyl-1-(4-methylcyclohexyl)butan-1-amine
CID 105153728
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529
1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104564643
N,5-dimethyl-1-(4-methylcyclohexyl)hexan-1-amine
CID 83161350
1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928168
N-methyl-1-(4-methylcyclohexyl)nonan-1-amine
CID 63415649
1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
CID 114856649
N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine
CID 64776068
1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
CID 105079512
2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 79575352
3-methoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914460
[1-(3,4-dimethylcyclohexyl)-3-methoxypropyl]hydrazine
CID 105206434

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine (CID 62604714) is 3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine is CNC(CCOC)C1CCC(C)CC1.
What is the InChIKey of 3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine?
The InChIKey is WBNIADGSXLKTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-4-6-11(7-5-10)12(13-2)8-9-14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine?
3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine is sourced from PubChem (CID 62604714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).