1-cyclohexyl-5-methoxy-5-methylhexan-2-amine

C14H29NO — CID 103031159

IUPAC1-cyclohexyl-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)CC1CCCCC1
InChIInChI=1S/C14H29NO/c1-14(2,16-3)10-9-13(15)11-12-7-5-4-6-8-12/h12-13H,4-11,15H2,1-3H3
InChIKeyKHGVWWNYCJUYNE-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.49
Rot. Bonds6

About 1-cyclohexyl-5-methoxy-5-methylhexan-2-amine

1-cyclohexyl-5-methoxy-5-methylhexan-2-amine (PubChem CID 103031159) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-cyclohexyl-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-5-methoxy-5-methylhexan-2-amine
PubChem CID103031159
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-cyclohexyl-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)CC1CCCCC1
InChIInChI=1S/C14H29NO/c1-14(2,16-3)10-9-13(15)11-12-7-5-4-6-8-12/h12-13H,4-11,15H2,1-3H3
InChIKeyKHGVWWNYCJUYNE-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-5-methoxy-5-methylhexan-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-4-methoxy-4-methylpentan-2-amine
CID 103025087
1-cyclopentyl-5,5-dimethylhexan-2-amine
CID 115850049
1-cycloheptyl-4-cyclohexylbutan-2-amine
CID 114193048
1-cyclohexyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031160
1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103032084
1-cyclohexyl-5-methoxyhexan-2-amine
CID 105135842
1-cyclohexyl-5-methoxypentan-2-amine
CID 65092031
1-cyclohexyl-3-methoxy-3-methylbutan-2-amine
CID 103717838
1-cyclohexyl-3-methoxy-3-methylpentan-2-amine
CID 116757435
1,3-dicyclopentylpropan-2-amine
CID 58122660
1-cycloheptylheptan-2-amine
CID 115837607
(1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane
CID 103018681

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methoxy-5-methylhexan-2-amine?
The IUPAC name of 1-cyclohexyl-5-methoxy-5-methylhexan-2-amine (CID 103031159) is 1-cyclohexyl-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for 1-cyclohexyl-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for 1-cyclohexyl-5-methoxy-5-methylhexan-2-amine is COC(C)(C)CCC(N)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-methoxy-5-methylhexan-2-amine?
The InChIKey is KHGVWWNYCJUYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-14(2,16-3)10-9-13(15)11-12-7-5-4-6-8-12/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 1-cyclohexyl-5-methoxy-5-methylhexan-2-amine?
1-cyclohexyl-5-methoxy-5-methylhexan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103031159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).