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

C13H19N3O3 — CID 103779538

IUPACN-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCCCOCC2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-10-3-6-12(16(17)18)13(15-10)14-7-2-8-19-9-11-4-5-11/h3,6,11H,2,4-5,7-9H2,1H3,(H,14,15)
InChIKeyRJNCBMOTZGPRRJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.53
Rot. Bonds8

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

N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine (PubChem CID 103779538) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine
PubChem CID103779538
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCCCOCC2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-10-3-6-12(16(17)18)13(15-10)14-7-2-8-19-9-11-4-5-11/h3,6,11H,2,4-5,7-9H2,1H3,(H,14,15)
InChIKeyRJNCBMOTZGPRRJ-UHFFFAOYSA-N
XLogP2.53
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.53
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'}

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Related Compounds

N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138260
N-(cyclopropylmethyl)-6-methyl-3-nitropyridin-2-amine;formic acid
CID 175490829
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine
CID 103764632
N-[3-(cyclopropylmethoxy)propyl]-4-methyl-2-nitroaniline
CID 103720881
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
N-[3-(cyclopropylmethoxy)propyl]-5-fluoro-2-nitroaniline
CID 107302309
6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
CID 115715261
formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine
CID 175490837
N-[3-(cyclopropylmethoxy)propyl]-3-ethoxy-4-nitroaniline
CID 103718704
3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82946841
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82947445

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine (CID 103779538) is N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NCCCOCC2CC2)n1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine?
The InChIKey is RJNCBMOTZGPRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-3-6-12(16(17)18)13(15-10)14-7-2-8-19-9-11-4-5-11/h3,6,11H,2,4-5,7-9H2,1H3,(H,14,15).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine?
N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine has a molecular weight of 265.31 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 103779538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).