1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea

C15H25N3S — CID 115573153

IUPAC1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea
SMILESCCCNC(=S)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C15H25N3S/c1-3-10-16-15(19)17-11-7-12-18(2)13-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3,(H2,16,17,19)
InChIKeyLXYYDVWSTHAABU-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.38
Rot. Bonds8

About 1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea

1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea (PubChem CID 115573153) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea
PubChem CID115573153
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea
SMILESCCCNC(=S)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C15H25N3S/c1-3-10-16-15(19)17-11-7-12-18(2)13-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3,(H2,16,17,19)
InChIKeyLXYYDVWSTHAABU-UHFFFAOYSA-N
XLogP2.38
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[benzyl(methyl)amino]propyl]-3-(3,4-dimethylphenyl)thiourea
CID 8600302
1-(4-phenylbutyl)-3-propylthiourea
CID 19650176
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
1-benzyl-3-propylthiourea
CID 12725927
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62490939
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
1-[3-[benzyl(methyl)amino]propyl]-3-tert-butylurea
CID 115573375
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide
CID 46532557
2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide
CID 28577544
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
1-[3-[benzyl(methyl)amino]propyl]-3-(4-chlorophenyl)urea
CID 46647437

Frequently Asked Questions

What is the IUPAC name of 1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea?
The IUPAC name of 1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea (CID 115573153) is 1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea.
What is the SMILES notation for 1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea?
The canonical SMILES for 1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea is CCCNC(=S)NCCCN(C)Cc1ccccc1.
What is the InChIKey of 1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea?
The InChIKey is LXYYDVWSTHAABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-3-10-16-15(19)17-11-7-12-18(2)13-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea?
1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea has a molecular weight of 279.45 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea is sourced from PubChem (CID 115573153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).