N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine

C11H16N4O2 — CID 5355685

IUPACN-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine
SMILESCCC(/C=N\Nc1ccc([N+](=O)[O-])cn1)CC
InChIInChI=1S/C11H16N4O2/c1-3-9(4-2)7-13-14-11-6-5-10(8-12-11)15(16)17/h5-9H,3-4H2,1-2H3,(H,12,14)/b13-7-
InChIKeyADDXFCCKFSVDLB-QPEQYQDCSA-N
MW236.28 g/mol
LogP2.82
Rot. Bonds6

About N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine

N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine (PubChem CID 5355685) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine
PubChem CID5355685
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC NameN-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine
SMILESCCC(/C=N\Nc1ccc([N+](=O)[O-])cn1)CC
InChIInChI=1S/C11H16N4O2/c1-3-9(4-2)7-13-14-11-6-5-10(8-12-11)15(16)17/h5-9H,3-4H2,1-2H3,(H,12,14)/b13-7-
InChIKeyADDXFCCKFSVDLB-QPEQYQDCSA-N
XLogP2.82
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595
N-[(2-butoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3637125
N-[(Z)-2-ethylbutylideneamino]-3-nitroaniline
CID 9077557
2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3744788
(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol
CID 28852088
N-[(2-chloro-5-nitrophenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3684648
N-[(E)-(2,5-dimethylfuran-3-yl)methylideneamino]-5-nitropyridin-2-amine
CID 21374211
5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine
CID 135810238
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzoic acid
CID 5065997
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
(4R)-6-(hydroxymethyl)-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-4H-pyran-3-ol
CID 98119142

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine?
The IUPAC name of N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine (CID 5355685) is N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine?
The canonical SMILES for N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine is CCC(/C=N\Nc1ccc([N+](=O)[O-])cn1)CC.
What is the InChIKey of N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine?
The InChIKey is ADDXFCCKFSVDLB-QPEQYQDCSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-9(4-2)7-13-14-11-6-5-10(8-12-11)15(16)17/h5-9H,3-4H2,1-2H3,(H,12,14)/b13-7-.
What are the key properties of N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine?
N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine has a molecular weight of 236.28 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine is sourced from PubChem (CID 5355685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).