N-[(E)-butylideneamino]-4-nitroaniline

C10H13N3O2 — CID 11095804

IUPACN-[(E)-butylideneamino]-4-nitroaniline
SMILESCCC/C=N/Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O2/c1-2-3-8-11-12-9-4-6-10(7-5-9)13(14)15/h4-8,12H,2-3H2,1H3/b11-8+
InChIKeyRCHHXHRTCOWPCH-DHZHZOJOSA-N
MW207.23 g/mol
LogP2.79
Rot. Bonds5

About N-[(E)-butylideneamino]-4-nitroaniline

N-[(E)-butylideneamino]-4-nitroaniline (PubChem CID 11095804) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[(E)-butylideneamino]-4-nitroaniline.

Molecular Properties

Compound NameN-[(E)-butylideneamino]-4-nitroaniline
PubChem CID11095804
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-[(E)-butylideneamino]-4-nitroaniline
SMILESCCC/C=N/Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O2/c1-2-3-8-11-12-9-4-6-10(7-5-9)13(14)15/h4-8,12H,2-3H2,1H3/b11-8+
InChIKeyRCHHXHRTCOWPCH-DHZHZOJOSA-N
XLogP2.79
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze N-[(E)-butylideneamino]-4-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-nitro-N-[(4-propylsulfanylphenyl)methylideneamino]aniline
CID 110842146
5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one
CID 131887668
(1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione
CID 141451524
4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline
CID 70056050
(2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid
CID 11816613
N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-nitroaniline
CID 6383941
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
N-(heptylideneamino)-4-nitrobenzamide
CID 4526908
N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine
CID 126000121
N-[(E)-(3-butoxyphenyl)methylideneamino]-4-nitroaniline
CID 110506439

Frequently Asked Questions

What is the IUPAC name of N-[(E)-butylideneamino]-4-nitroaniline?
The IUPAC name of N-[(E)-butylideneamino]-4-nitroaniline (CID 11095804) is N-[(E)-butylideneamino]-4-nitroaniline.
What is the SMILES notation for N-[(E)-butylideneamino]-4-nitroaniline?
The canonical SMILES for N-[(E)-butylideneamino]-4-nitroaniline is CCC/C=N/Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-butylideneamino]-4-nitroaniline?
The InChIKey is RCHHXHRTCOWPCH-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-3-8-11-12-9-4-6-10(7-5-9)13(14)15/h4-8,12H,2-3H2,1H3/b11-8+.
What are the key properties of N-[(E)-butylideneamino]-4-nitroaniline?
N-[(E)-butylideneamino]-4-nitroaniline has a molecular weight of 207.23 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-butylideneamino]-4-nitroaniline is sourced from PubChem (CID 11095804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).