4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide

C17H30N4OS — CID 142196213

IUPAC4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide
SMILESC=C(CCCSCCCC)Nc1ccc(NC)cc1.NNC=O
InChIInChI=1S/C16H26N2S.CH4N2O/c1-4-5-12-19-13-6-7-14(2)18-16-10-8-15(17-3)9-11-16;2-3-1-4/h8-11,17-18H,2,4-7,12-13H2,1,3H3;1H,2H2,(H,3,4)
InChIKeyPEAJSPFVWRLJET-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.57
Rot. Bonds11

About 4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide

4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide (PubChem CID 142196213) has the molecular formula C17H30N4OS and a molecular weight of 338.52 g/mol. Its IUPAC name is 4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide.

Molecular Properties

Compound Name4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide
PubChem CID142196213
Molecular FormulaC17H30N4OS
Molecular Weight338.52 g/mol
Exact Mass338.21
IUPAC Name4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide
SMILESC=C(CCCSCCCC)Nc1ccc(NC)cc1.NNC=O
InChIInChI=1S/C16H26N2S.CH4N2O/c1-4-5-12-19-13-6-7-14(2)18-16-10-8-15(17-3)9-11-16;2-3-1-4/h8-11,17-18H,2,4-7,12-13H2,1,3H3;1H,2H2,(H,3,4)
InChIKeyPEAJSPFVWRLJET-UHFFFAOYSA-N
XLogP3.57
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide 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

N-[4-(methylamino)phenyl]pentanamide
CID 71040406
N-(4-aminophenyl)-4-pentylsulfanylbutanamide
CID 107748509
4-butylsulfanylbutanehydrazide
CID 63582322
[4-(hept-1-en-2-ylamino)phenyl]borinic acid
CID 144886642
6-(but-1-en-2-ylamino)hexanal;ethane;4-(methylamino)benzaldehyde;4-[7-(methylamino)hept-1-en-2-ylamino]benzaldehyde;propanal
CID 143199113
4-pentylsulfanylbutanehydrazide
CID 107760917
N-[4-(2-formylhydrazinyl)phenyl]-2-heptylsulfanylacetamide
CID 71344097
N-[4-(2-butylsulfanylacetyl)phenyl]acetamide
CID 71201159
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
2-formamido-N-[4-(methylamino)phenyl]acetamide
CID 178056431
butyl 4-[3-[3-(4-butoxycarbonylanilino)-3-oxopropyl]sulfanylpropanoylamino]benzoate
CID 4046544
N-[4-(diethylamino)phenyl]undecanamide
CID 4594726

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide?
The IUPAC name of 4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide (CID 142196213) is 4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide.
What is the SMILES notation for 4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide?
The canonical SMILES for 4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide is C=C(CCCSCCCC)Nc1ccc(NC)cc1.NNC=O.
What is the InChIKey of 4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide?
The InChIKey is PEAJSPFVWRLJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S.CH4N2O/c1-4-5-12-19-13-6-7-14(2)18-16-10-8-15(17-3)9-11-16;2-3-1-4/h8-11,17-18H,2,4-7,12-13H2,1,3H3;1H,2H2,(H,3,4).
What are the key properties of 4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide?
4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide has a molecular weight of 338.52 g/mol, XLogP of 3.57, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-butylsulfanylpent-1-en-2-yl)-1-N-methylbenzene-1,4-diamine;formohydrazide is sourced from PubChem (CID 142196213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).