N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine

C12H19N3O3 — CID 103604292

IUPACN-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine
SMILESCC(C)COCCCNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C12H19N3O3/c1-10(2)9-18-7-3-6-13-11-4-5-12(14-8-11)15(16)17/h4-5,8,10,13H,3,6-7,9H2,1-2H3
InChIKeyPITPGMQVSFWNQS-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.46
Rot. Bonds8

About N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine

N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine (PubChem CID 103604292) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine
PubChem CID103604292
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine
SMILESCC(C)COCCCNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C12H19N3O3/c1-10(2)9-18-7-3-6-13-11-4-5-12(14-8-11)15(16)17/h4-5,8,10,13H,3,6-7,9H2,1-2H3
InChIKeyPITPGMQVSFWNQS-UHFFFAOYSA-N
XLogP2.46
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-6-nitropyridin-3-amine
CID 60631644
N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62658550
N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine
CID 115637425
6-nitro-N-(4,4,4-trifluorobutyl)pyridin-3-amine
CID 79040122
N-[2-(4-aminocyclohexyl)oxyethyl]-6-nitropyridin-3-amine
CID 63869519
6-nitro-N-(3-phenylpropyl)pyridin-3-amine
CID 60631720
6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115633982
N-cyclopropyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62664493
N-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine
CID 115001598
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[2-(4-nitroanilino)ethyl]guanidine;hydroiodide
CID 111401648
3-methoxy-2-[(6-nitro-3-pyridinyl)amino]propanoic acid
CID 81078858
6-[3-(2-methylpropoxy)propylamino]-3-nitropyridine-2-carbonitrile
CID 103577984

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine (CID 103604292) is N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine is CC(C)COCCCNc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine?
The InChIKey is PITPGMQVSFWNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-10(2)9-18-7-3-6-13-11-4-5-12(14-8-11)15(16)17/h4-5,8,10,13H,3,6-7,9H2,1-2H3.
What are the key properties of N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine?
N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine has a molecular weight of 253.30 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine is sourced from PubChem (CID 103604292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).