[2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine

C17H28N2O — CID 114342269

IUPAC[2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine
SMILESCCCc1cc(CN)cc(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C17H28N2O/c1-4-5-14-10-13(12-18)11-16(19-14)20-15-6-8-17(2,3)9-7-15/h10-11,15H,4-9,12,18H2,1-3H3
InChIKeyXVAQJMFZZPPLBC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.84
Rot. Bonds5

About [2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine

[2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine (PubChem CID 114342269) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine
PubChem CID114342269
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine
SMILESCCCc1cc(CN)cc(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C17H28N2O/c1-4-5-14-10-13(12-18)11-16(19-14)20-15-6-8-17(2,3)9-7-15/h10-11,15H,4-9,12,18H2,1-3H3
InChIKeyXVAQJMFZZPPLBC-UHFFFAOYSA-N
XLogP3.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4,4-dimethylcyclohexyl)oxy-6-ethyl-4-pyridinyl]methanamine
CID 114342332
N-[[2-(oxetan-3-yloxy)-6-propyl-4-pyridinyl]methyl]cyclopropanamine
CID 102607892
N-[[2-(4,4-dimethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 114342312
2-(4,4-dimethylcyclohexyl)oxy-6-methylpyridine-4-carbothioamide
CID 114768254
N-[[6-(4,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 114342320
[2-(furan-2-ylmethoxy)-6-propyl-4-pyridinyl]methanamine
CID 113381551
N-[[6-(4,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114342313
2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid
CID 113379638
4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine
CID 114340982
(2-cyclobutyl-6-methoxy-4-pyridinyl)methanamine
CID 105446432
5-bromo-2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine
CID 114870816
[4-(4,4-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567840

Frequently Asked Questions

What is the IUPAC name of [2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine?
The IUPAC name of [2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine (CID 114342269) is [2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine?
The canonical SMILES for [2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine is CCCc1cc(CN)cc(OC2CCC(C)(C)CC2)n1.
What is the InChIKey of [2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine?
The InChIKey is XVAQJMFZZPPLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-5-14-10-13(12-18)11-16(19-14)20-15-6-8-17(2,3)9-7-15/h10-11,15H,4-9,12,18H2,1-3H3.
What are the key properties of [2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine?
[2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine has a molecular weight of 276.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-dimethylcyclohexyl)oxy-6-propyl-4-pyridinyl]methanamine is sourced from PubChem (CID 114342269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).