2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol

C11H18N4O3 — CID 80918015

IUPAC2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-3-11(2,7-16)13-8-5-4-6-9(14-12)10(8)15(17)18/h4-6,13-14,16H,3,7,12H2,1-2H3
InChIKeyORAXPBSBSBCIOX-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.45
Rot. Bonds6

About 2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol

2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol (PubChem CID 80918015) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol
PubChem CID80918015
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-3-11(2,7-16)13-8-5-4-6-9(14-12)10(8)15(17)18/h4-6,13-14,16H,3,7,12H2,1-2H3
InChIKeyORAXPBSBSBCIOX-UHFFFAOYSA-N
XLogP1.45
TPSA113.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

3-N-(2-methylbutan-2-yl)-2-nitrobenzene-1,3-diamine
CID 80768379
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
3-[[3-(ethylamino)-2-nitroanilino]methyl]pentan-3-ol
CID 80842998
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845
3-N-(3-ethylpentan-3-yl)-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80827036
2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80907483
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 45118197
N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline
CID 80901021
5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol
CID 106138710
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 115549684
3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline
CID 80914228
2-(2-chloroanilino)-2-methylbutan-1-ol
CID 61047731

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol?
The IUPAC name of 2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol (CID 80918015) is 2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol?
The canonical SMILES for 2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol is CCC(C)(CO)Nc1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol?
The InChIKey is ORAXPBSBSBCIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-11(2,7-16)13-8-5-4-6-9(14-12)10(8)15(17)18/h4-6,13-14,16H,3,7,12H2,1-2H3.
What are the key properties of 2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol?
2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol has a molecular weight of 254.29 g/mol, XLogP of 1.45, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol is sourced from PubChem (CID 80918015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).