N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine

C13H20N4O3 — CID 63870698

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine
SMILESNC1CCC(OCCNc2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H20N4O3/c14-10-3-5-11(6-4-10)20-9-8-16-13-12(17(18)19)2-1-7-15-13/h1-2,7,10-11H,3-6,8-9,14H2,(H,15,16)
InChIKeyVECIYHUPDYDKSC-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.69
Rot. Bonds6

About N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine

N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine (PubChem CID 63870698) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine
PubChem CID63870698
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine
SMILESNC1CCC(OCCNc2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H20N4O3/c14-10-3-5-11(6-4-10)20-9-8-16-13-12(17(18)19)2-1-7-15-13/h1-2,7,10-11H,3-6,8-9,14H2,(H,15,16)
InChIKeyVECIYHUPDYDKSC-UHFFFAOYSA-N
XLogP1.69
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 55031819
4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591412
3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 62350491
N-[2-(4-aminocyclohexyl)oxyethyl]-6-nitropyridin-3-amine
CID 63869519
2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide
CID 63869356
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651
N-[2-(4-aminocyclohexyl)oxyethyl]-5-nitropyridin-2-amine
CID 63870865
N-[3-(methoxymethoxy)propyl]-3-nitropyridin-2-amine
CID 125423794
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine
CID 115599538
N-[2-(4-aminocyclohexyl)oxyethyl]-3-bromo-5-nitropyridin-4-amine
CID 103519602
3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide
CID 63870860
N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine (CID 63870698) is N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine is NC1CCC(OCCNc2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine?
The InChIKey is VECIYHUPDYDKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c14-10-3-5-11(6-4-10)20-9-8-16-13-12(17(18)19)2-1-7-15-13/h1-2,7,10-11H,3-6,8-9,14H2,(H,15,16).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine?
N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 63870698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).