(1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine

C17H28N2O2 — CID 116766242

IUPAC(1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCOC1(C(N)c2cncc(OC(C)C)c2)CCC(C)CC1
InChIInChI=1S/C17H28N2O2/c1-12(2)21-15-9-14(10-19-11-15)16(18)17(20-4)7-5-13(3)6-8-17/h9-13,16H,5-8,18H2,1-4H3
InChIKeyOACDLBKCGHCBIJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.46
Rot. Bonds5

About (1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine

(1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 116766242) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID116766242
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCOC1(C(N)c2cncc(OC(C)C)c2)CCC(C)CC1
InChIInChI=1S/C17H28N2O2/c1-12(2)21-15-9-14(10-19-11-15)16(18)17(20-4)7-5-13(3)6-8-17/h9-13,16H,5-8,18H2,1-4H3
InChIKeyOACDLBKCGHCBIJ-UHFFFAOYSA-N
XLogP3.46
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine with MolForge

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Related Compounds

(1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine
CID 116766270
(1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine
CID 116766241
(1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine
CID 116766074
(1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116769046
(1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 116755046
(2,2-dimethylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 107190563
2-cyclohexyl-2-methoxy-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 116771301
3-cyclopentyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 105027507
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 116714615
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 116714896
[2-cyclopropyl-2-methoxy-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]hydrazine
CID 105272873
[(1-methylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330488

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of (1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (CID 116766242) is (1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for (1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for (1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is COC1(C(N)c2cncc(OC(C)C)c2)CCC(C)CC1.
What is the InChIKey of (1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is OACDLBKCGHCBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)21-15-9-14(10-19-11-15)16(18)17(20-4)7-5-13(3)6-8-17/h9-13,16H,5-8,18H2,1-4H3.
What are the key properties of (1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
(1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 292.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 116766242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).