2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide

C14H23N3S — CID 113385837

IUPAC2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(SC)cccc1N(CC)CC(C)C
InChIInChI=1S/C14H23N3S/c1-5-17(9-10(2)3)11-7-6-8-12(18-4)13(11)14(15)16/h6-8,10H,5,9H2,1-4H3,(H3,15,16)
InChIKeyWRQCXALNHHQZBR-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.17
Rot. Bonds6

About 2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide

2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide (PubChem CID 113385837) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide
PubChem CID113385837
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(SC)cccc1N(CC)CC(C)C
InChIInChI=1S/C14H23N3S/c1-5-17(9-10(2)3)11-7-6-8-12(18-4)13(11)14(15)16/h6-8,10H,5,9H2,1-4H3,(H3,15,16)
InChIKeyWRQCXALNHHQZBR-UHFFFAOYSA-N
XLogP3.17
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(diethylamino)benzenecarboximidamide
CID 62502596
2-bromo-6-methylsulfanylbenzenecarboximidamide
CID 114884401
4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 43273777
2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide
CID 79519709
2-[butan-2-yl(ethyl)amino]-6-methylsulfanylbenzenecarbothioamide
CID 113385703
2-ethylsulfanyl-6-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 113385931
2-methylsulfanyl-6-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496268
3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide
CID 154376179
2-[benzyl(ethyl)amino]-6-bromobenzenecarboximidamide
CID 114883608
2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 79387650
2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide
CID 79523193
2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide
CID 104562371

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide (CID 113385837) is 2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(SC)cccc1N(CC)CC(C)C.
What is the InChIKey of 2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide?
The InChIKey is WRQCXALNHHQZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-5-17(9-10(2)3)11-7-6-8-12(18-4)13(11)14(15)16/h6-8,10H,5,9H2,1-4H3,(H3,15,16).
What are the key properties of 2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide?
2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide has a molecular weight of 265.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 113385837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).