1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea

C11H23N3S — CID 86811847

IUPAC1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea
SMILESCN(C)CC(C)(C)CNC(=S)NC1CC1
InChIInChI=1S/C11H23N3S/c1-11(2,8-14(3)4)7-12-10(15)13-9-5-6-9/h9H,5-8H2,1-4H3,(H2,12,13,15)
InChIKeyCUEFPHDKXJVBPW-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.20
Rot. Bonds5

About 1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea

1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea (PubChem CID 86811847) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea
PubChem CID86811847
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea
SMILESCN(C)CC(C)(C)CNC(=S)NC1CC1
InChIInChI=1S/C11H23N3S/c1-11(2,8-14(3)4)7-12-10(15)13-9-5-6-9/h9H,5-8H2,1-4H3,(H2,12,13,15)
InChIKeyCUEFPHDKXJVBPW-UHFFFAOYSA-N
XLogP1.20
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butyl)-N'-cyclopropylthiourea
CID 2798326
1-Cyclopropyl-3-methylthiourea
CID 19650396
N,N'-Di-sec-butylthiourea
CID 5366322
3-Propan-2-yl-1,1-dipropylthiourea
CID 19653021
1,1-Di(propan-2-yl)-3-propylthiourea
CID 170848826
1-Cyclopropyl-3-[3-(dimethylamino)propyl]thiourea
CID 2956610
1-Cyclopropyl-3-(2-methylbutyl)thiourea
CID 16460911
1-Cyclopropyl-3-ethylthiourea
CID 2795302
1-s-Butyl-3-t-butylthiourea
CID 12906296
1-(3-(Dimethylamino)propyl)-3-ethylthiourea
CID 14633811
1-Cyclopropyl-3-propan-2-ylthiourea
CID 19650397
1-(2-Methylpropyl)-3-propan-2-ylthiourea
CID 19650613

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea (CID 86811847) is 1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea is CN(C)CC(C)(C)CNC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea?
The InChIKey is CUEFPHDKXJVBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-11(2,8-14(3)4)7-12-10(15)13-9-5-6-9/h9H,5-8H2,1-4H3,(H2,12,13,15).
What are the key properties of 1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea?
1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea has a molecular weight of 229.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea is sourced from PubChem (CID 86811847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).