N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine

C11H18N2S — CID 115226560

IUPACN-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine
SMILESCNCNc1ccc(SC(C)C)cc1
InChIInChI=1S/C11H18N2S/c1-9(2)14-11-6-4-10(5-7-11)13-8-12-3/h4-7,9,12-13H,8H2,1-3H3
InChIKeyXKWWMWDPWLZUTH-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.78
Rot. Bonds5

About N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine

N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine (PubChem CID 115226560) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine.

Molecular Properties

Compound NameN-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine
PubChem CID115226560
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine
SMILESCNCNc1ccc(SC(C)C)cc1
InChIInChI=1S/C11H18N2S/c1-9(2)14-11-6-4-10(5-7-11)13-8-12-3/h4-7,9,12-13H,8H2,1-3H3
InChIKeyXKWWMWDPWLZUTH-UHFFFAOYSA-N
XLogP2.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-propan-2-ylsulfanylanilino)ethanol
CID 96671487
2-(4-propan-2-ylsulfanylanilino)acetic acid
CID 82494664
3-(4-propan-2-ylsulfanylanilino)propane-1-thiol
CID 115224630
2-(methylamino)-1-(4-propan-2-ylsulfanylphenyl)ethanone
CID 96672644
(E)-4-(4-propan-2-ylsulfanylanilino)but-2-enoic acid
CID 115236909
5-(4-propan-2-ylsulfanylanilino)pentanoic acid
CID 115218894
1-N,2-N,2-trimethyl-2-N-(4-propan-2-ylsulfanylphenyl)propane-1,2-diamine
CID 115132596
N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 115261466
(4-propan-2-ylsulfanylphenyl)carbamic acid
CID 115170656
2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 63808063
3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115154519
3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide
CID 115154849

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine?
The IUPAC name of N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine (CID 115226560) is N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine.
What is the SMILES notation for N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine?
The canonical SMILES for N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine is CNCNc1ccc(SC(C)C)cc1.
What is the InChIKey of N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine?
The InChIKey is XKWWMWDPWLZUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9(2)14-11-6-4-10(5-7-11)13-8-12-3/h4-7,9,12-13H,8H2,1-3H3.
What are the key properties of N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine?
N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine has a molecular weight of 210.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine is sourced from PubChem (CID 115226560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).