N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline

C11H18N4O2 — CID 80894806

IUPACN-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline
SMILESCCC(C)N(C)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H18N4O2/c1-4-8(2)14(3)10-5-9(13-12)6-11(7-10)15(16)17/h5-8,13H,4,12H2,1-3H3
InChIKeyMXNPBMQZPGDUOL-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.12
Rot. Bonds5

About N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline

N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline (PubChem CID 80894806) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline.

Molecular Properties

Compound NameN-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline
PubChem CID80894806
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline
SMILESCCC(C)N(C)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H18N4O2/c1-4-8(2)14(3)10-5-9(13-12)6-11(7-10)15(16)17/h5-8,13H,4,12H2,1-3H3
InChIKeyMXNPBMQZPGDUOL-UHFFFAOYSA-N
XLogP2.12
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 80905083
3-N-butan-2-yl-1-N,3-N-dimethyl-5-nitrobenzene-1,3-diamine
CID 80776508
3-(3-hydrazinyl-N-methyl-5-nitroanilino)butanenitrile
CID 80914174
N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 80909909
N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline
CID 80917523
(3-butan-2-ylsulfanyl-5-nitrophenyl)hydrazine
CID 80924770
3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline
CID 80895595
3-hydrazinyl-5-nitro-N-propan-2-ylaniline
CID 80932452
2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide
CID 80896043
N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80910026
3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline
CID 80924169
N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline
CID 80928455

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline?
The IUPAC name of N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline (CID 80894806) is N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline.
What is the SMILES notation for N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline?
The canonical SMILES for N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline is CCC(C)N(C)c1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline?
The InChIKey is MXNPBMQZPGDUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-8(2)14(3)10-5-9(13-12)6-11(7-10)15(16)17/h5-8,13H,4,12H2,1-3H3.
What are the key properties of N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline?
N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline has a molecular weight of 238.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline is sourced from PubChem (CID 80894806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).