1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea

C9H19N3S — CID 131021251

IUPAC1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea
SMILESCC(C)(C)C(NC(=S)NN)C1CC1
InChIInChI=1S/C9H19N3S/c1-9(2,3)7(6-4-5-6)11-8(13)12-10/h6-7H,4-5,10H2,1-3H3,(H2,11,12,13)
InChIKeyJYZZSQFPVCWWSW-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.15
Rot. Bonds2

About 1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea

1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea (PubChem CID 131021251) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea
PubChem CID131021251
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea
SMILESCC(C)(C)C(NC(=S)NN)C1CC1
InChIInChI=1S/C9H19N3S/c1-9(2,3)7(6-4-5-6)11-8(13)12-10/h6-7H,4-5,10H2,1-3H3,(H2,11,12,13)
InChIKeyJYZZSQFPVCWWSW-UHFFFAOYSA-N
XLogP1.15
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid
CID 175158520
N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide
CID 83148345
1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine
CID 65400554
(1S)-1-cyclopropyl-2-methyl-1-(methylamino)propan-2-ol
CID 118458672
(1-cyclohexyl-2,2,2-trifluoroethyl)thiourea
CID 54395260
2,2-dimethylpropanethiohydrazide
CID 2775228
1-amino-3-(5-methylhexan-2-yl)thiourea
CID 63925911
2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide
CID 76893105
2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid
CID 62696214
1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea
CID 19676391
(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane
CID 57231071
(1-cyclopropyl-2,2,2-trifluoroethyl)urea
CID 130718454

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea?
The IUPAC name of 1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea (CID 131021251) is 1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea.
What is the SMILES notation for 1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea?
The canonical SMILES for 1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea is CC(C)(C)C(NC(=S)NN)C1CC1.
What is the InChIKey of 1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea?
The InChIKey is JYZZSQFPVCWWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-9(2,3)7(6-4-5-6)11-8(13)12-10/h6-7H,4-5,10H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea?
1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea has a molecular weight of 201.34 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-cyclopropyl-2,2-dimethylpropyl)thiourea is sourced from PubChem (CID 131021251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).