1-cyclopropyl-3-hexan-2-ylurea

C10H20N2O — CID 90349027

IUPAC1-cyclopropyl-3-hexan-2-ylurea
SMILESCCCCC(C)NC(=O)NC1CC1
InChIInChI=1S/C10H20N2O/c1-3-4-5-8(2)11-10(13)12-9-6-7-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyAASBUPIHZWIMLC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.03
Rot. Bonds5

About 1-cyclopropyl-3-hexan-2-ylurea

1-cyclopropyl-3-hexan-2-ylurea (PubChem CID 90349027) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-hexan-2-ylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-hexan-2-ylurea
PubChem CID90349027
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-cyclopropyl-3-hexan-2-ylurea
SMILESCCCCC(C)NC(=O)NC1CC1
InChIInChI=1S/C10H20N2O/c1-3-4-5-8(2)11-10(13)12-9-6-7-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyAASBUPIHZWIMLC-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-hexan-2-ylurea?
The IUPAC name of 1-cyclopropyl-3-hexan-2-ylurea (CID 90349027) is 1-cyclopropyl-3-hexan-2-ylurea.
What is the SMILES notation for 1-cyclopropyl-3-hexan-2-ylurea?
The canonical SMILES for 1-cyclopropyl-3-hexan-2-ylurea is CCCCC(C)NC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-hexan-2-ylurea?
The InChIKey is AASBUPIHZWIMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-4-5-8(2)11-10(13)12-9-6-7-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-cyclopropyl-3-hexan-2-ylurea?
1-cyclopropyl-3-hexan-2-ylurea has a molecular weight of 184.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-hexan-2-ylurea is sourced from PubChem (CID 90349027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).