1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea

C11H25N3S — CID 116508678

IUPAC1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)N(C)CCCN(C)C
InChIInChI=1S/C11H25N3S/c1-10(2)9-12-11(15)14(5)8-6-7-13(3)4/h10H,6-9H2,1-5H3,(H,12,15)
InChIKeyGVSXYYRCUWMPFD-UHFFFAOYSA-N
MW231.41 g/mol
LogP1.40
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea

1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea (PubChem CID 116508678) has the molecular formula C11H25N3S and a molecular weight of 231.41 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea
PubChem CID116508678
Molecular FormulaC11H25N3S
Molecular Weight231.41 g/mol
Exact Mass231.18
IUPAC Name1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)N(C)CCCN(C)C
InChIInChI=1S/C11H25N3S/c1-10(2)9-12-11(15)14(5)8-6-7-13(3)4/h10H,6-9H2,1-5H3,(H,12,15)
InChIKeyGVSXYYRCUWMPFD-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)thiourea
CID 115591638
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)-1-methylthiourea
CID 116508676
1,1,3-tris(2-methylpropyl)thiourea
CID 19653244
1-butyl-1-ethyl-3-(2-methylpropyl)thiourea
CID 115570265
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63725131
1-[2-(dimethylamino)ethyl]-1-methyl-3-propylthiourea
CID 116508663
1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropyl)thiourea
CID 115570986
N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
CID 63725817
1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(2-methylpropyl)thiourea
CID 115591598
1-cycloheptyl-1-methyl-3-(2-methylpropyl)thiourea
CID 115576097
4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
CID 43151937
2-amino-N-[3-(dimethylamino)propyl]-N,3-dimethylbutanamide
CID 63693134

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea (CID 116508678) is 1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea is CC(C)CNC(=S)N(C)CCCN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea?
The InChIKey is GVSXYYRCUWMPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3S/c1-10(2)9-12-11(15)14(5)8-6-7-13(3)4/h10H,6-9H2,1-5H3,(H,12,15).
What are the key properties of 1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea?
1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea has a molecular weight of 231.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 116508678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).