butane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide

C17H36N2S — CID 142349758

IUPACbutane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide
SMILESC/C=C(C)\C=C/C(N)=N\[C@](C)(S)CC.CC.CCCC
InChIInChI=1S/C11H20N2S.C4H10.C2H6/c1-5-9(3)7-8-10(12)13-11(4,14)6-2;1-3-4-2;1-2/h5,7-8,14H,6H2,1-4H3,(H2,12,13);3-4H2,1-2H3;1-2H3/b8-7-,9-5-;;/t11-;;/m1../s1
InChIKeyRSZFRDGFPKZKBV-XVGYQTKRSA-N
MW300.56 g/mol
LogP5.75
Rot. Bonds5

About butane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide

butane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide (PubChem CID 142349758) has the molecular formula C17H36N2S and a molecular weight of 300.56 g/mol. Its IUPAC name is butane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide.

Molecular Properties

Compound Namebutane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide
PubChem CID142349758
Molecular FormulaC17H36N2S
Molecular Weight300.56 g/mol
Exact Mass300.26
IUPAC Namebutane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide
SMILESC/C=C(C)\C=C/C(N)=N\[C@](C)(S)CC.CC.CCCC
InChIInChI=1S/C11H20N2S.C4H10.C2H6/c1-5-9(3)7-8-10(12)13-11(4,14)6-2;1-3-4-2;1-2/h5,7-8,14H,6H2,1-4H3,(H2,12,13);3-4H2,1-2H3;1-2H3/b8-7-,9-5-;;/t11-;;/m1../s1
InChIKeyRSZFRDGFPKZKBV-XVGYQTKRSA-N
XLogP5.75
TPSA38.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze butane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide?
The IUPAC name of butane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide (CID 142349758) is butane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide.
What is the SMILES notation for butane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide?
The canonical SMILES for butane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide is C/C=C(C)\C=C/C(N)=N\[C@](C)(S)CC.CC.CCCC.
What is the InChIKey of butane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide?
The InChIKey is RSZFRDGFPKZKBV-XVGYQTKRSA-N. The full InChI is InChI=1S/C11H20N2S.C4H10.C2H6/c1-5-9(3)7-8-10(12)13-11(4,14)6-2;1-3-4-2;1-2/h5,7-8,14H,6H2,1-4H3,(H2,12,13);3-4H2,1-2H3;1-2H3/b8-7-,9-5-;;/t11-;;/m1../s1.
What are the key properties of butane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide?
butane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide has a molecular weight of 300.56 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;(2Z,4Z)-4-methyl-N'-[(2R)-2-sulfanylbutan-2-yl]hexa-2,4-dienimidamide is sourced from PubChem (CID 142349758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).