1-amino-1-[3-(diethylamino)propyl]thiourea

C8H20N4S — CID 87317226

IUPAC1-amino-1-[3-(diethylamino)propyl]thiourea
SMILESCCN(CC)CCCN(N)C(N)=S
InChIInChI=1S/C8H20N4S/c1-3-11(4-2)6-5-7-12(10)8(9)13/h3-7,10H2,1-2H3,(H2,9,13)
InChIKeyOJCJBOSBDQSMFO-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.14
Rot. Bonds6

About 1-amino-1-[3-(diethylamino)propyl]thiourea

1-amino-1-[3-(diethylamino)propyl]thiourea (PubChem CID 87317226) has the molecular formula C8H20N4S and a molecular weight of 204.34 g/mol. Its IUPAC name is 1-amino-1-[3-(diethylamino)propyl]thiourea.

Molecular Properties

Compound Name1-amino-1-[3-(diethylamino)propyl]thiourea
PubChem CID87317226
Molecular FormulaC8H20N4S
Molecular Weight204.34 g/mol
Exact Mass204.14
IUPAC Name1-amino-1-[3-(diethylamino)propyl]thiourea
SMILESCCN(CC)CCCN(N)C(N)=S
InChIInChI=1S/C8H20N4S/c1-3-11(4-2)6-5-7-12(10)8(9)13/h3-7,10H2,1-2H3,(H2,9,13)
InChIKeyOJCJBOSBDQSMFO-UHFFFAOYSA-N
XLogP0.14
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[amino(ethyl)amino]-N,N-diethylpropan-1-amine
CID 102998730
2-[3-(diethylamino)propyl-ethylamino]acetamide
CID 102996272
3-[bis[3-(diethylamino)propyl]amino]propanamide
CID 87989478
carbamodithioic acid;N,N-diethylethanamine
CID 71364945
2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide
CID 102993358
1-amino-1-(3-hydroxy-3-methylbutyl)thiourea
CID 11217562
1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide
CID 102993363
2-chloro-4-[3-(diethylamino)propyl-ethylamino]benzenecarbothioamide
CID 102993428
O-methyl 4-(diethylamino)butanethioate
CID 157352133
N,N-diethyl-4-silylbutan-1-amine
CID 123327780
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine
CID 170854608

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[3-(diethylamino)propyl]thiourea?
The IUPAC name of 1-amino-1-[3-(diethylamino)propyl]thiourea (CID 87317226) is 1-amino-1-[3-(diethylamino)propyl]thiourea.
What is the SMILES notation for 1-amino-1-[3-(diethylamino)propyl]thiourea?
The canonical SMILES for 1-amino-1-[3-(diethylamino)propyl]thiourea is CCN(CC)CCCN(N)C(N)=S.
What is the InChIKey of 1-amino-1-[3-(diethylamino)propyl]thiourea?
The InChIKey is OJCJBOSBDQSMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4S/c1-3-11(4-2)6-5-7-12(10)8(9)13/h3-7,10H2,1-2H3,(H2,9,13).
What are the key properties of 1-amino-1-[3-(diethylamino)propyl]thiourea?
1-amino-1-[3-(diethylamino)propyl]thiourea has a molecular weight of 204.34 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[3-(diethylamino)propyl]thiourea is sourced from PubChem (CID 87317226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).