4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine

C8H20N2S — CID 170060870

IUPAC4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine
SMILESCNC(C)(C)CC(C)(N)SC
InChIInChI=1S/C8H20N2S/c1-7(2,10-4)6-8(3,9)11-5/h10H,6,9H2,1-5H3
InChIKeyZATRJAPEPVUIAW-UHFFFAOYSA-N
MW176.33 g/mol
LogP1.41
Rot. Bonds4

About 4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine

4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine (PubChem CID 170060870) has the molecular formula C8H20N2S and a molecular weight of 176.33 g/mol. Its IUPAC name is 4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine.

Molecular Properties

Compound Name4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine
PubChem CID170060870
Molecular FormulaC8H20N2S
Molecular Weight176.33 g/mol
Exact Mass176.13
IUPAC Name4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine
SMILESCNC(C)(C)CC(C)(N)SC
InChIInChI=1S/C8H20N2S/c1-7(2,10-4)6-8(3,9)11-5/h10H,6,9H2,1-5H3
InChIKeyZATRJAPEPVUIAW-UHFFFAOYSA-N
XLogP1.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 51.41
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

6-N,2,4,4,6-pentamethylheptane-2,6-diamine
CID 146667491
N,2,4,4-tetramethylpentan-2-amine
CID 20714825
ethane;methanethiol;N,2,4,4-tetramethylpentan-2-amine
CID 164863368
1-amino-2,2,4-trimethyl-4-(methylamino)pentan-1-ol
CID 149030140
3-N,3-dimethylbutane-1,3-diamine
CID 89269662
2-N,2,4-trimethyl-4-N-propan-2-ylpentane-2,4-diamine
CID 170208010
6-methoxy-N,2,4,4-tetramethylhexan-2-amine
CID 123569605
2-methyl-2-(methylamino)propane-1-sulfonamide
CID 89257544
2-N-[2-(dimethylamino)ethyl]-4-N,2,4-trimethylpentane-2,4-diamine
CID 139522188
1-N"-methylpropane-1,1,1,2,2-pentamine
CID 163613677
4,4-difluoro-N,2-dimethylbutan-2-amine
CID 134163311
N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride
CID 126844411

Frequently Asked Questions

What is the IUPAC name of 4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine?
The IUPAC name of 4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine (CID 170060870) is 4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine.
What is the SMILES notation for 4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine?
The canonical SMILES for 4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine is CNC(C)(C)CC(C)(N)SC.
What is the InChIKey of 4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine?
The InChIKey is ZATRJAPEPVUIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S/c1-7(2,10-4)6-8(3,9)11-5/h10H,6,9H2,1-5H3.
What are the key properties of 4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine?
4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine has a molecular weight of 176.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-dimethyl-2-methylsulfanylpentane-2,4-diamine is sourced from PubChem (CID 170060870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).