1-cyclohexyl-3-methoxy-3-methylbutan-2-amine

C12H25NO — CID 103717838

IUPAC1-cyclohexyl-3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(N)CC1CCCCC1
InChIInChI=1S/C12H25NO/c1-12(2,14-3)11(13)9-10-7-5-4-6-8-10/h10-11H,4-9,13H2,1-3H3
InChIKeyQDQNAJWHBJWWQA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds4

About 1-cyclohexyl-3-methoxy-3-methylbutan-2-amine

1-cyclohexyl-3-methoxy-3-methylbutan-2-amine (PubChem CID 103717838) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-methoxy-3-methylbutan-2-amine
PubChem CID103717838
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-cyclohexyl-3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(N)CC1CCCCC1
InChIInChI=1S/C12H25NO/c1-12(2,14-3)11(13)9-10-7-5-4-6-8-10/h10-11H,4-9,13H2,1-3H3
InChIKeyQDQNAJWHBJWWQA-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-methoxy-3-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-methoxy-3-methylpentan-2-amine
CID 116757435
1-cyclohexyl-4-methoxy-4-methylpentan-2-amine
CID 103025087
1-cyclopentyl-3,3-difluorobutan-2-amine
CID 84656075
1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197910
1-cyclohexyl-5-methoxy-5-methylhexan-2-amine
CID 103031159
1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79196998
1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine
CID 114228399
tert-butyl 2-amino-3-cyclohexylpropanoate
CID 20814860
1-cycloheptyl-3-ethylpentan-2-amine
CID 105014024
1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine
CID 114229188
methyl 2-(cyclohexylmethyl)-3-hydroxy-3-methylbutanoate
CID 164683725
(2S)-2-amino-1-cyclohexyl-6-methylheptane-3,3-diol
CID 67810554

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methoxy-3-methylbutan-2-amine?
The IUPAC name of 1-cyclohexyl-3-methoxy-3-methylbutan-2-amine (CID 103717838) is 1-cyclohexyl-3-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-cyclohexyl-3-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-cyclohexyl-3-methoxy-3-methylbutan-2-amine is COC(C)(C)C(N)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-methoxy-3-methylbutan-2-amine?
The InChIKey is QDQNAJWHBJWWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,14-3)11(13)9-10-7-5-4-6-8-10/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-methoxy-3-methylbutan-2-amine?
1-cyclohexyl-3-methoxy-3-methylbutan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 103717838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).