N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine

C18H28N2O — CID 62292299

IUPACN-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(C)c(CNC2CC2)c(OC2CCC(C)CC2)n1
InChIInChI=1S/C18H28N2O/c1-12-4-8-16(9-5-12)21-18-17(11-19-15-6-7-15)13(2)10-14(3)20-18/h10,12,15-16,19H,4-9,11H2,1-3H3
InChIKeyDHZHFBKPBZFMDL-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.91
Rot. Bonds5

About N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine

N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62292299) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62292299
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(C)c(CNC2CC2)c(OC2CCC(C)CC2)n1
InChIInChI=1S/C18H28N2O/c1-12-4-8-16(9-5-12)21-18-17(11-19-15-6-7-15)13(2)10-14(3)20-18/h10,12,15-16,19H,4-9,11H2,1-3H3
InChIKeyDHZHFBKPBZFMDL-UHFFFAOYSA-N
XLogP3.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4,6-dimethyl-2-(3-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 62290593
N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine
CID 62292298
[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine
CID 61177850
N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 62287174
N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine
CID 62287173
N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]cyclopropanamine
CID 62290425
N-[[4,6-dimethyl-2-(oxan-4-yloxy)-3-pyridinyl]methyl]ethanamine
CID 55058614
4,6-dimethyl-2-(4-methylcyclohexyl)oxypyridine-3-carbothioamide
CID 61175977
N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 62290492
3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-propylpyridin-2-amine
CID 62279849
N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62285086
3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-4,6-dimethylpyridin-2-amine
CID 113378215

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine (CID 62292299) is N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(C)c(CNC2CC2)c(OC2CCC(C)CC2)n1.
What is the InChIKey of N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is DHZHFBKPBZFMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-4-8-16(9-5-12)21-18-17(11-19-15-6-7-15)13(2)10-14(3)20-18/h10,12,15-16,19H,4-9,11H2,1-3H3.
What are the key properties of N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine?
N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 288.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62292299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).