N-(2-butoxyethyl)-3-nitropyridin-4-amine

C11H17N3O3 — CID 61175883

IUPACN-(2-butoxyethyl)-3-nitropyridin-4-amine
SMILESCCCCOCCNc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-2-3-7-17-8-6-13-10-4-5-12-9-11(10)14(15)16/h4-5,9H,2-3,6-8H2,1H3,(H,12,13)
InChIKeyMZEGGSMOVMNFEK-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.22
Rot. Bonds8

About N-(2-butoxyethyl)-3-nitropyridin-4-amine

N-(2-butoxyethyl)-3-nitropyridin-4-amine (PubChem CID 61175883) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2-butoxyethyl)-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-3-nitropyridin-4-amine
PubChem CID61175883
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(2-butoxyethyl)-3-nitropyridin-4-amine
SMILESCCCCOCCNc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-2-3-7-17-8-6-13-10-4-5-12-9-11(10)14(15)16/h4-5,9H,2-3,6-8H2,1H3,(H,12,13)
InChIKeyMZEGGSMOVMNFEK-UHFFFAOYSA-N
XLogP2.22
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.22
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-(8-hexoxyoctyl)-3-nitropyridin-4-amine
CID 90319518
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
4-(2-butoxyethylamino)-3-nitrobenzonitrile
CID 61175482
N-(5-methylhexyl)-3-nitropyridin-4-amine
CID 79003361
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
CID 103918222
N-(3-butoxypropyl)-4-methoxy-2-nitroaniline
CID 115569626
N-(2-ethoxyethyl)-8-nitroisoquinolin-5-amine
CID 43591262
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408
N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine
CID 114617697
N-methyl-2-[(3-nitro-4-pyridinyl)amino]ethanesulfonamide
CID 114175321
N-(3-nitro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28889726
2-N-(2-butoxyethyl)-3-nitropyridine-2,6-diamine
CID 80819270

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-3-nitropyridin-4-amine?
The IUPAC name of N-(2-butoxyethyl)-3-nitropyridin-4-amine (CID 61175883) is N-(2-butoxyethyl)-3-nitropyridin-4-amine.
What is the SMILES notation for N-(2-butoxyethyl)-3-nitropyridin-4-amine?
The canonical SMILES for N-(2-butoxyethyl)-3-nitropyridin-4-amine is CCCCOCCNc1ccncc1[N+](=O)[O-].
What is the InChIKey of N-(2-butoxyethyl)-3-nitropyridin-4-amine?
The InChIKey is MZEGGSMOVMNFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-3-7-17-8-6-13-10-4-5-12-9-11(10)14(15)16/h4-5,9H,2-3,6-8H2,1H3,(H,12,13).
What are the key properties of N-(2-butoxyethyl)-3-nitropyridin-4-amine?
N-(2-butoxyethyl)-3-nitropyridin-4-amine has a molecular weight of 239.27 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-3-nitropyridin-4-amine is sourced from PubChem (CID 61175883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).