1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine

C12H25NO — CID 116766221

IUPAC1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine
SMILESCOC1(C(N)C(C)C)CCC(C)CC1
InChIInChI=1S/C12H25NO/c1-9(2)11(13)12(14-4)7-5-10(3)6-8-12/h9-11H,5-8,13H2,1-4H3
InChIKeyDTEXODKUTHZMOV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds3

About 1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine

1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine (PubChem CID 116766221) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine
PubChem CID116766221
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine
SMILESCOC1(C(N)C(C)C)CCC(C)CC1
InChIInChI=1S/C12H25NO/c1-9(2)11(13)12(14-4)7-5-10(3)6-8-12/h9-11H,5-8,13H2,1-4H3
InChIKeyDTEXODKUTHZMOV-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 104932362
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766647
[cyclopropyl-(1-methoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105276994
[(1-methoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105277132
1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
CID 116766531
(3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 116766285
1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
CID 116766098
4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 116766176
[(1-methoxy-4-methylcyclohexyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105277046
[3-ethyl-1-(1-methoxy-4-methylcyclohexyl)pentyl]hydrazine
CID 105277200
(1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine
CID 116766074
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine
CID 116766678

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine (CID 116766221) is 1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine is COC1(C(N)C(C)C)CCC(C)CC1.
What is the InChIKey of 1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine?
The InChIKey is DTEXODKUTHZMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)11(13)12(14-4)7-5-10(3)6-8-12/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine?
1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 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)-2-methylpropan-1-amine is sourced from PubChem (CID 116766221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).