3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea

C7H17N3S — CID 91028744

IUPAC3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea
SMILESCNC(=S)N(CC(C)C)NC
InChIInChI=1S/C7H17N3S/c1-6(2)5-10(9-4)7(11)8-3/h6,9H,5H2,1-4H3,(H,8,11)
InChIKeyJZUPVFHDPVURGO-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.58
Rot. Bonds3

About 3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea

3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea (PubChem CID 91028744) has the molecular formula C7H17N3S and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea
PubChem CID91028744
Molecular FormulaC7H17N3S
Molecular Weight175.30 g/mol
Exact Mass175.11
IUPAC Name3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea
SMILESCNC(=S)N(CC(C)C)NC
InChIInChI=1S/C7H17N3S/c1-6(2)5-10(9-4)7(11)8-3/h6,9H,5H2,1-4H3,(H,8,11)
InChIKeyJZUPVFHDPVURGO-UHFFFAOYSA-N
XLogP0.58
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-Amino-3-(2,2-dimethylpropyl)thiourea
CID 2798089
3-Amino-3-methyl-1-(2-methylpropyl)thiourea
CID 7130862
4-Isobutylthiosemicarbazide
CID 12367441
1-(2-Methylpropyl)hydrazine-1-carbothioamide
CID 55290675
N,4-dimethyldiazinane-1-carbothioamide
CID 88793744
1-Methyl-3-(2-methylpropylamino)thiourea
CID 129929976
2-Propyl-1,2,4-triazolidine-3-thione
CID 141008201
1,1-Bis(methylamino)-3-propylthiourea
CID 141750643
1-[Butan-2-yl(methyl)amino]-3-methylthiourea
CID 163974868
1,3-Diethyl-1-(propylcarbamothioylamino)thiourea
CID 170162809
[(Dimethylamino)amino](butylamino)methane-1-thione
CID 3458393
1-(Dimethylamino)-3-(2,2-dimethylpropyl)thiourea
CID 12235883

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea?
The IUPAC name of 3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea (CID 91028744) is 3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea.
What is the SMILES notation for 3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea?
The canonical SMILES for 3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea is CNC(=S)N(CC(C)C)NC.
What is the InChIKey of 3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea?
The InChIKey is JZUPVFHDPVURGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3S/c1-6(2)5-10(9-4)7(11)8-3/h6,9H,5H2,1-4H3,(H,8,11).
What are the key properties of 3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea?
3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea has a molecular weight of 175.30 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(methylamino)-1-(2-methylpropyl)thiourea is sourced from PubChem (CID 91028744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).