1-cyclopentyl-1-ethyl-3-methylurea

C9H18N2O — CID 66862164

IUPAC1-cyclopentyl-1-ethyl-3-methylurea
SMILESCCN(C(=O)NC)C1CCCC1
InChIInChI=1S/C9H18N2O/c1-3-11(9(12)10-2)8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyOWLVLWDZZIERTI-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.59
Rot. Bonds2

About 1-cyclopentyl-1-ethyl-3-methylurea

1-cyclopentyl-1-ethyl-3-methylurea (PubChem CID 66862164) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-cyclopentyl-1-ethyl-3-methylurea.

Molecular Properties

Compound Name1-cyclopentyl-1-ethyl-3-methylurea
PubChem CID66862164
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-cyclopentyl-1-ethyl-3-methylurea
SMILESCCN(C(=O)NC)C1CCCC1
InChIInChI=1S/C9H18N2O/c1-3-11(9(12)10-2)8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyOWLVLWDZZIERTI-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-ethyl-3-methylurea?
The IUPAC name of 1-cyclopentyl-1-ethyl-3-methylurea (CID 66862164) is 1-cyclopentyl-1-ethyl-3-methylurea.
What is the SMILES notation for 1-cyclopentyl-1-ethyl-3-methylurea?
The canonical SMILES for 1-cyclopentyl-1-ethyl-3-methylurea is CCN(C(=O)NC)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-ethyl-3-methylurea?
The InChIKey is OWLVLWDZZIERTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-11(9(12)10-2)8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 1-cyclopentyl-1-ethyl-3-methylurea?
1-cyclopentyl-1-ethyl-3-methylurea has a molecular weight of 170.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-ethyl-3-methylurea is sourced from PubChem (CID 66862164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).