N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine

C12H17N3O3 — CID 133271782

IUPACN-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCCCO1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H17N3O3/c1-14(9-11-4-2-3-7-18-11)12-6-5-10(8-13-12)15(16)17/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyOQLHMHXASVAUSD-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.00
Rot. Bonds4

About N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine

N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine (PubChem CID 133271782) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
PubChem CID133271782
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCCCO1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H17N3O3/c1-14(9-11-4-2-3-7-18-11)12-6-5-10(8-13-12)15(16)17/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyOQLHMHXASVAUSD-UHFFFAOYSA-N
XLogP2.00
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
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

N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271741
5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 107081253
N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 71642116
N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281999
6-chloro-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62102507
[2-[methyl(oxolan-2-ylmethyl)amino]-5-nitrophenyl]methanol
CID 61431805
N-methyl-4-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 671903
5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103915128
N-ethyl-4-nitro-N-(oxolan-2-ylmethyl)aniline
CID 133274078
N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271800
6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80896559
N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 55059023

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine (CID 133271782) is N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine is CN(CC1CCCCO1)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine?
The InChIKey is OQLHMHXASVAUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-14(9-11-4-2-3-7-18-11)12-6-5-10(8-13-12)15(16)17/h5-6,8,11H,2-4,7,9H2,1H3.
What are the key properties of N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine?
N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 133271782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).