1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea

C14H27N3O — CID 95707249

IUPAC1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
SMILESCCN1CCC[C@@H]1CNC(=O)NC1CCCCC1
InChIInChI=1S/C14H27N3O/c1-2-17-10-6-9-13(17)11-15-14(18)16-12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H2,15,16,18)/t13-/m1/s1
InChIKeyIPNHJOOZLJXWEM-CYBMUJFWSA-N
MW253.39 g/mol
LogP2.10
Rot. Bonds4

About 1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea

1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea (PubChem CID 95707249) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
PubChem CID95707249
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
SMILESCCN1CCC[C@@H]1CNC(=O)NC1CCCCC1
InChIInChI=1S/C14H27N3O/c1-2-17-10-6-9-13(17)11-15-14(18)16-12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H2,15,16,18)/t13-/m1/s1
InChIKeyIPNHJOOZLJXWEM-CYBMUJFWSA-N
XLogP2.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-3-methylurea
CID 308344
N-(Sec-butyl)-N'-cyclohexylurea
CID 4417023
1-Cyclohexyl-3-hexyl urea
CID 5151394
N-cyclohexylpiperazine-1-carboxamide hydrochloride
CID 24746865
N-cyclohexyl-1-pyrrolidinecarboxamide
CID 327479
1-Cyclohexyl-3-isopropylurea
CID 280348
1-Butyl-3-cyclohexylurea
CID 3613676
Urea, N'-cyclohexyl-N,N-dimethyl-
CID 4594662
1-Cyclohexyl-3-ethylurea
CID 5151398
1-Cyclohexyl-3-propylurea
CID 280347
N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
CID 2054543
N-cyclohexyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2109987

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea (CID 95707249) is 1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea is CCN1CCC[C@@H]1CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea?
The InChIKey is IPNHJOOZLJXWEM-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-17-10-6-9-13(17)11-15-14(18)16-12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H2,15,16,18)/t13-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea?
1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea has a molecular weight of 253.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea is sourced from PubChem (CID 95707249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).