2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine

C17H28N2O — CID 79259878

IUPAC2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(COC2CCC(C)C(C)C2)c1
InChIInChI=1S/C17H28N2O/c1-4-8-18-15-7-9-19-16(11-15)12-20-17-6-5-13(2)14(3)10-17/h7,9,11,13-14,17H,4-6,8,10,12H2,1-3H3,(H,18,19)
InChIKeyJWFLLKFRYYBTBQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.24
Rot. Bonds6

About 2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine

2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine (PubChem CID 79259878) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine
PubChem CID79259878
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(COC2CCC(C)C(C)C2)c1
InChIInChI=1S/C17H28N2O/c1-4-8-18-15-7-9-19-16(11-15)12-20-17-6-5-13(2)14(3)10-17/h7,9,11,13-14,17H,4-6,8,10,12H2,1-3H3,(H,18,19)
InChIKeyJWFLLKFRYYBTBQ-UHFFFAOYSA-N
XLogP4.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-N-propylpyridin-4-amine
CID 79251024
N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine
CID 79251421
2-(phenoxymethyl)-N-propylpyridin-4-amine
CID 79250988
2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine
CID 79259512
N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine
CID 79261906
2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79250898
2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251517
N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 64745207
2-[(3-fluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251163
2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260330
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
CID 83221527
2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260153

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine (CID 79259878) is 2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine is CCCNc1ccnc(COC2CCC(C)C(C)C2)c1.
What is the InChIKey of 2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine?
The InChIKey is JWFLLKFRYYBTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-8-18-15-7-9-19-16(11-15)12-20-17-6-5-13(2)14(3)10-17/h7,9,11,13-14,17H,4-6,8,10,12H2,1-3H3,(H,18,19).
What are the key properties of 2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine?
2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79259878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).