1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea

C10H23N3S — CID 44757629

IUPAC1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea
SMILESCCN(CC)CCNC(=S)NC(C)C
InChIInChI=1S/C10H23N3S/c1-5-13(6-2)8-7-11-10(14)12-9(3)4/h9H,5-8H2,1-4H3,(H2,11,12,14)
InChIKeyOVMFVMWDCKFPAM-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.20
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea

1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea (PubChem CID 44757629) has the molecular formula C10H23N3S and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea
PubChem CID44757629
Molecular FormulaC10H23N3S
Molecular Weight217.38 g/mol
Exact Mass217.16
IUPAC Name1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea
SMILESCCN(CC)CCNC(=S)NC(C)C
InChIInChI=1S/C10H23N3S/c1-5-13(6-2)8-7-11-10(14)12-9(3)4/h9H,5-8H2,1-4H3,(H2,11,12,14)
InChIKeyOVMFVMWDCKFPAM-UHFFFAOYSA-N
XLogP1.20
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
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

1-[1-(diethylamino)propan-2-yl]-3-propylthiourea
CID 115594307
N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide
CID 108505435
N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide
CID 108522253
N-[2-(diethylamino)ethyl]-2-(propan-2-ylamino)acetamide
CID 60843052
(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid
CID 61184562
1-[2-(diethylamino)ethyl]-3-[2-[2-(diethylamino)ethylcarbamothioylhydrazinylidene]pentan-3-ylideneamino]thiourea
CID 6811950
propan-2-yl N-[2-(diethylamino)ethyl]carbamate
CID 116653752
methyl 3-(propan-2-ylcarbamothioylamino)propanoate
CID 115577210
2-[2-(diethylamino)ethylcarbamoylamino]-3-methylbutanoic acid
CID 16789059
N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide
CID 60849509
1-(3-methylsulfinylpropyl)-3-propan-2-ylthiourea
CID 116510209
1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea
CID 115591635

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea (CID 44757629) is 1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea is CCN(CC)CCNC(=S)NC(C)C.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea?
The InChIKey is OVMFVMWDCKFPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3S/c1-5-13(6-2)8-7-11-10(14)12-9(3)4/h9H,5-8H2,1-4H3,(H2,11,12,14).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea?
1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea has a molecular weight of 217.38 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea is sourced from PubChem (CID 44757629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).