1-[1-(diethylamino)propan-2-yl]-3-propylthiourea

C11H25N3S — CID 115594307

IUPAC1-[1-(diethylamino)propan-2-yl]-3-propylthiourea
SMILESCCCNC(=S)NC(C)CN(CC)CC
InChIInChI=1S/C11H25N3S/c1-5-8-12-11(15)13-10(4)9-14(6-2)7-3/h10H,5-9H2,1-4H3,(H2,12,13,15)
InChIKeyXEZCQWJPPPHCJW-UHFFFAOYSA-N
MW231.41 g/mol
LogP1.59
Rot. Bonds7

About 1-[1-(diethylamino)propan-2-yl]-3-propylthiourea

1-[1-(diethylamino)propan-2-yl]-3-propylthiourea (PubChem CID 115594307) has the molecular formula C11H25N3S and a molecular weight of 231.41 g/mol. Its IUPAC name is 1-[1-(diethylamino)propan-2-yl]-3-propylthiourea.

Molecular Properties

Compound Name1-[1-(diethylamino)propan-2-yl]-3-propylthiourea
PubChem CID115594307
Molecular FormulaC11H25N3S
Molecular Weight231.41 g/mol
Exact Mass231.18
IUPAC Name1-[1-(diethylamino)propan-2-yl]-3-propylthiourea
SMILESCCCNC(=S)NC(C)CN(CC)CC
InChIInChI=1S/C11H25N3S/c1-5-8-12-11(15)13-10(4)9-14(6-2)7-3/h10H,5-9H2,1-4H3,(H2,12,13,15)
InChIKeyXEZCQWJPPPHCJW-UHFFFAOYSA-N
XLogP1.59
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethylamino)propan-2-yl]-3-propylthiourea?
The IUPAC name of 1-[1-(diethylamino)propan-2-yl]-3-propylthiourea (CID 115594307) is 1-[1-(diethylamino)propan-2-yl]-3-propylthiourea.
What is the SMILES notation for 1-[1-(diethylamino)propan-2-yl]-3-propylthiourea?
The canonical SMILES for 1-[1-(diethylamino)propan-2-yl]-3-propylthiourea is CCCNC(=S)NC(C)CN(CC)CC.
What is the InChIKey of 1-[1-(diethylamino)propan-2-yl]-3-propylthiourea?
The InChIKey is XEZCQWJPPPHCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3S/c1-5-8-12-11(15)13-10(4)9-14(6-2)7-3/h10H,5-9H2,1-4H3,(H2,12,13,15).
What are the key properties of 1-[1-(diethylamino)propan-2-yl]-3-propylthiourea?
1-[1-(diethylamino)propan-2-yl]-3-propylthiourea has a molecular weight of 231.41 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)propan-2-yl]-3-propylthiourea is sourced from PubChem (CID 115594307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).