1-(dimethylamino)-3-(2-methylpropyl)thiourea

C7H17N3S — CID 112682951

IUPAC1-(dimethylamino)-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NN(C)C
InChIInChI=1S/C7H17N3S/c1-6(2)5-8-7(11)9-10(3)4/h6H,5H2,1-4H3,(H2,8,9,11)
InChIKeyMXUBJFFDWJEAFL-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.58
Rot. Bonds3

About 1-(dimethylamino)-3-(2-methylpropyl)thiourea

1-(dimethylamino)-3-(2-methylpropyl)thiourea (PubChem CID 112682951) has the molecular formula C7H17N3S and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-(dimethylamino)-3-(2-methylpropyl)thiourea
PubChem CID112682951
Molecular FormulaC7H17N3S
Molecular Weight175.30 g/mol
Exact Mass175.11
IUPAC Name1-(dimethylamino)-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NN(C)C
InChIInChI=1S/C7H17N3S/c1-6(2)5-8-7(11)9-10(3)4/h6H,5H2,1-4H3,(H2,8,9,11)
InChIKeyMXUBJFFDWJEAFL-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

3-Amino-1-butylthiourea
CID 1810303
3-Amino-1-(3-methylbutyl)thiourea
CID 5151427
n-Propylhydrazinecarbothioamide
CID 1810736
3-Amino-1-butyl-3-methylthiourea
CID 2375050
1-Amino-3-(2,2-dimethylpropyl)thiourea
CID 2798089
3-Amino-3-methyl-1-(2-methylpropyl)thiourea
CID 7130862
4-Sec-butyl-thiosemicarbazide
CID 3962768
N-Ethyl-2,2-dimethylhydrazine-1-carbothioamide
CID 4253634
1-Amino-3-(cyclopropylmethyl)thiourea
CID 28934672
3-Amino-1-[3-(dimethylamino)propyl]thiourea
CID 10012455
4-Isobutylthiosemicarbazide
CID 12367441
1-(Carbamothioylamino)-3-propylthiourea
CID 14566157

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-(dimethylamino)-3-(2-methylpropyl)thiourea (CID 112682951) is 1-(dimethylamino)-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-(dimethylamino)-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-(dimethylamino)-3-(2-methylpropyl)thiourea is CC(C)CNC(=S)NN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-(2-methylpropyl)thiourea?
The InChIKey is MXUBJFFDWJEAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3S/c1-6(2)5-8-7(11)9-10(3)4/h6H,5H2,1-4H3,(H2,8,9,11).
What are the key properties of 1-(dimethylamino)-3-(2-methylpropyl)thiourea?
1-(dimethylamino)-3-(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 1-(dimethylamino)-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 112682951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).