N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine

C17H28N2O2 — CID 79158075

IUPACN-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine
SMILESCOC1CCCC(Oc2ccc(C)nc2CNC(C)C)C1
InChIInChI=1S/C17H28N2O2/c1-12(2)18-11-16-17(9-8-13(3)19-16)21-15-7-5-6-14(10-15)20-4/h8-9,12,14-15,18H,5-7,10-11H2,1-4H3
InChIKeyXORNITTVZFFYJO-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.22
Rot. Bonds6

About N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine

N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine (PubChem CID 79158075) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine
PubChem CID79158075
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine
SMILESCOC1CCCC(Oc2ccc(C)nc2CNC(C)C)C1
InChIInChI=1S/C17H28N2O2/c1-12(2)18-11-16-17(9-8-13(3)19-16)21-15-7-5-6-14(10-15)20-4/h8-9,12,14-15,18H,5-7,10-11H2,1-4H3
InChIKeyXORNITTVZFFYJO-UHFFFAOYSA-N
XLogP3.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-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

N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79150743
2-[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]ethanamine
CID 79169570
N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 107696193
2-(3-cyclopentyloxy-6-methyl-2-pyridinyl)ethanamine
CID 79169733
N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine
CID 79150869
3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]azepan-2-one
CID 79158245
2-(3-cycloheptyloxy-6-methyl-2-pyridinyl)ethanamine
CID 82930493
2-(bromomethyl)-6-methyl-3-(3-methylcyclohexyl)oxypyridine
CID 79169878
N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine
CID 115954063
N-[[6-methyl-3-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79151236
N-[(3-butan-2-yloxy-6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 79150768
[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine
CID 79163433

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine (CID 79158075) is N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine is COC1CCCC(Oc2ccc(C)nc2CNC(C)C)C1.
What is the InChIKey of N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is XORNITTVZFFYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)18-11-16-17(9-8-13(3)19-16)21-15-7-5-6-14(10-15)20-4/h8-9,12,14-15,18H,5-7,10-11H2,1-4H3.
What are the key properties of N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine?
N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 292.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 79158075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).