1-butyl-3-cyclopentyl-1-propylurea

C13H26N2O — CID 108902721

IUPAC1-butyl-3-cyclopentyl-1-propylurea
SMILESCCCCN(CCC)C(=O)NC1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-5-11-15(10-4-2)13(16)14-12-8-6-7-9-12/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyIGZRIMJDMJFHOA-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.15
Rot. Bonds6

About 1-butyl-3-cyclopentyl-1-propylurea

1-butyl-3-cyclopentyl-1-propylurea (PubChem CID 108902721) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-butyl-3-cyclopentyl-1-propylurea.

Molecular Properties

Compound Name1-butyl-3-cyclopentyl-1-propylurea
PubChem CID108902721
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-butyl-3-cyclopentyl-1-propylurea
SMILESCCCCN(CCC)C(=O)NC1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-5-11-15(10-4-2)13(16)14-12-8-6-7-9-12/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyIGZRIMJDMJFHOA-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea
CID 102974783
4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61447425
3-[acetyl(butyl)amino]-N-cyclopentylpropanamide
CID 113115718
3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655133
4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025047
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
1-butyl-1,3-dicyclopropylurea
CID 115579407
2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide
CID 115590449

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-cyclopentyl-1-propylurea?
The IUPAC name of 1-butyl-3-cyclopentyl-1-propylurea (CID 108902721) is 1-butyl-3-cyclopentyl-1-propylurea.
What is the SMILES notation for 1-butyl-3-cyclopentyl-1-propylurea?
The canonical SMILES for 1-butyl-3-cyclopentyl-1-propylurea is CCCCN(CCC)C(=O)NC1CCCC1.
What is the InChIKey of 1-butyl-3-cyclopentyl-1-propylurea?
The InChIKey is IGZRIMJDMJFHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-5-11-15(10-4-2)13(16)14-12-8-6-7-9-12/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of 1-butyl-3-cyclopentyl-1-propylurea?
1-butyl-3-cyclopentyl-1-propylurea has a molecular weight of 226.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-cyclopentyl-1-propylurea is sourced from PubChem (CID 108902721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).