6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine

C15H23N3O3 — CID 80844603

IUPAC6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(OC2CCC(C)CC2)n1
InChIInChI=1S/C15H23N3O3/c1-3-10-16-14-9-8-13(18(19)20)15(17-14)21-12-6-4-11(2)5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyBEXJLTYPZBIOKJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.77
Rot. Bonds6

About 6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine

6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine (PubChem CID 80844603) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine
PubChem CID80844603
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(OC2CCC(C)CC2)n1
InChIInChI=1S/C15H23N3O3/c1-3-10-16-14-9-8-13(18(19)20)15(17-14)21-12-6-4-11(2)5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyBEXJLTYPZBIOKJ-UHFFFAOYSA-N
XLogP3.77
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771612
N-ethyl-6-(1-methylpiperidin-4-yl)oxy-5-nitropyridin-2-amine
CID 80873157
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine
CID 102741257
5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine
CID 80845026
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
6-butyl-5-nitro-N-propylpyridin-2-amine
CID 106659336
6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine
CID 102838567
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine
CID 106598821
6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine
CID 80778654
2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol
CID 102875746
6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine
CID 80876882
N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 69485063

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine?
The IUPAC name of 6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine (CID 80844603) is 6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine?
The canonical SMILES for 6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine is CCCNc1ccc([N+](=O)[O-])c(OC2CCC(C)CC2)n1.
What is the InChIKey of 6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine?
The InChIKey is BEXJLTYPZBIOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-10-16-14-9-8-13(18(19)20)15(17-14)21-12-6-4-11(2)5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,16,17).
What are the key properties of 6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine?
6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine is sourced from PubChem (CID 80844603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).