N-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine

C12H19N3O2 — CID 63198594

IUPACN-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine
SMILESCCCC(Cc1ccncc1[N+](=O)[O-])NCC
InChIInChI=1S/C12H19N3O2/c1-3-5-11(14-4-2)8-10-6-7-13-9-12(10)15(16)17/h6-7,9,11,14H,3-5,8H2,1-2H3
InChIKeyVDDUQMATZSTTHN-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.31
Rot. Bonds7

About N-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine

N-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine (PubChem CID 63198594) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine
PubChem CID63198594
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine
SMILESCCCC(Cc1ccncc1[N+](=O)[O-])NCC
InChIInChI=1S/C12H19N3O2/c1-3-5-11(14-4-2)8-10-6-7-13-9-12(10)15(16)17/h6-7,9,11,14H,3-5,8H2,1-2H3
InChIKeyVDDUQMATZSTTHN-UHFFFAOYSA-N
XLogP2.31
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-(2-methylpropyl)-3-nitropyridine
CID 165439022
N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine
CID 63198504
3-nitro-N-pentan-2-ylpyridin-4-amine
CID 43114081
1-(2,4-dinitrophenyl)-N-methylpentan-2-amine
CID 63199546
N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine
CID 61065495
2-N-(5-nitroisoquinolin-8-yl)pentane-1,2-diamine
CID 103142168
N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine
CID 61064607
1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine
CID 61064433
N-methyl-1-(4-methylsulfonyl-2-nitrophenyl)pentan-2-amine
CID 63199545
2-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 43500161
N-ethyl-1-(4-fluoro-2-nitrophenyl)-3-methoxypropan-2-amine
CID 63197736
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
CID 102928424

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine?
The IUPAC name of N-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine (CID 63198594) is N-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine is CCCC(Cc1ccncc1[N+](=O)[O-])NCC.
What is the InChIKey of N-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine?
The InChIKey is VDDUQMATZSTTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-5-11(14-4-2)8-10-6-7-13-9-12(10)15(16)17/h6-7,9,11,14H,3-5,8H2,1-2H3.
What are the key properties of N-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine?
N-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine has a molecular weight of 237.30 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-nitro-4-pyridinyl)pentan-2-amine is sourced from PubChem (CID 63198594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).