1-cyclohexyl-4-methoxy-3-methylbutan-1-amine

C12H25NO — CID 105079501

IUPAC1-cyclohexyl-4-methoxy-3-methylbutan-1-amine
SMILESCOCC(C)CC(N)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-10(9-14-2)8-12(13)11-6-4-3-5-7-11/h10-12H,3-9,13H2,1-2H3
InChIKeyJRPXNYQPCNZPDU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds5

About 1-cyclohexyl-4-methoxy-3-methylbutan-1-amine

1-cyclohexyl-4-methoxy-3-methylbutan-1-amine (PubChem CID 105079501) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-cyclohexyl-4-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-methoxy-3-methylbutan-1-amine
PubChem CID105079501
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-cyclohexyl-4-methoxy-3-methylbutan-1-amine
SMILESCOCC(C)CC(N)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-10(9-14-2)8-12(13)11-6-4-3-5-7-11/h10-12H,3-9,13H2,1-2H3
InChIKeyJRPXNYQPCNZPDU-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(2-methoxyethoxy)ethanamine
CID 104748661
(2R,4R)-4-amino-4-cyclohexylbutan-2-ol
CID 131096382
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 105166209
1-cyclopentyl-3,5,5-trimethylhexan-1-amine
CID 115778345
1-cyclohexyl-3-propan-2-yloxypropan-1-amine
CID 114998646
1-cyclohexyl-3,4,4-trimethylpentan-1-amine
CID 114981190
1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105080973
1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105157171
1-methoxypropan-2-ylcyclopentane
CID 88998786
1-cyclohexyl-3-ethylpentan-1-amine
CID 82920637
1-cyclohexyl-4-methoxypentan-1-amine
CID 105079909
1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine
CID 116502167

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-cyclohexyl-4-methoxy-3-methylbutan-1-amine (CID 105079501) is 1-cyclohexyl-4-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-cyclohexyl-4-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-cyclohexyl-4-methoxy-3-methylbutan-1-amine is COCC(C)CC(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-methoxy-3-methylbutan-1-amine?
The InChIKey is JRPXNYQPCNZPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(9-14-2)8-12(13)11-6-4-3-5-7-11/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-methoxy-3-methylbutan-1-amine?
1-cyclohexyl-4-methoxy-3-methylbutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 105079501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).