3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea

C13H27N3O — CID 102974783

IUPAC3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea
SMILESCCN(CCCN(C)C)C(=O)NC1CCCC1
InChIInChI=1S/C13H27N3O/c1-4-16(11-7-10-15(2)3)13(17)14-12-8-5-6-9-12/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeySZQFHZVGLAHPCD-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.91
Rot. Bonds6

About 3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea

3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea (PubChem CID 102974783) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea
PubChem CID102974783
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea
SMILESCCN(CCCN(C)C)C(=O)NC1CCCC1
InChIInChI=1S/C13H27N3O/c1-4-16(11-7-10-15(2)3)13(17)14-12-8-5-6-9-12/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeySZQFHZVGLAHPCD-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea?
The IUPAC name of 3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea (CID 102974783) is 3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea.
What is the SMILES notation for 3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea?
The canonical SMILES for 3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea is CCN(CCCN(C)C)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea?
The InChIKey is SZQFHZVGLAHPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-16(11-7-10-15(2)3)13(17)14-12-8-5-6-9-12/h12H,4-11H2,1-3H3,(H,14,17).
What are the key properties of 3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea?
3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea has a molecular weight of 241.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea is sourced from PubChem (CID 102974783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).