(1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine

C16H26N2O2 — CID 116769046

IUPAC(1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine
SMILESCOc1cncc(C(N)C2(OC)CCC(C)(C)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-15(2)5-7-16(20-4,8-6-15)14(17)12-9-13(19-3)11-18-10-12/h9-11,14H,5-8,17H2,1-4H3
InChIKeyJGIVOYKPERBWTM-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.08
Rot. Bonds4

About (1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine

(1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine (PubChem CID 116769046) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine
PubChem CID116769046
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine
SMILESCOc1cncc(C(N)C2(OC)CCC(C)(C)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-15(2)5-7-16(20-4,8-6-15)14(17)12-9-13(19-3)11-18-10-12/h9-11,14H,5-8,17H2,1-4H3
InChIKeyJGIVOYKPERBWTM-UHFFFAOYSA-N
XLogP3.08
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine 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

(5-methoxy-3-pyridinyl)-(1-methylcyclohexyl)methanamine
CID 106830483
(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116770623
(1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 116766242
(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
CID 104610743
(1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine
CID 116766241
(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine
CID 116769740
(2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 116769039
(1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine
CID 116766074
(1-methoxy-4,4-dimethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114662029
3-(dimethoxymethyl)-5-methoxypyridine
CID 45361740
(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine
CID 116769915
1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105026104

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine?
The IUPAC name of (1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine (CID 116769046) is (1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for (1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine is COc1cncc(C(N)C2(OC)CCC(C)(C)CC2)c1.
What is the InChIKey of (1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine?
The InChIKey is JGIVOYKPERBWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(2)5-7-16(20-4,8-6-15)14(17)12-9-13(19-3)11-18-10-12/h9-11,14H,5-8,17H2,1-4H3.
What are the key properties of (1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine?
(1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine has a molecular weight of 278.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 116769046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).