1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea

C11H23N3O — CID 103977252

IUPAC1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea
SMILESCC(NC(=O)NC(C)(C)C)C1CCNC1
InChIInChI=1S/C11H23N3O/c1-8(9-5-6-12-7-9)13-10(15)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H2,13,14,15)
InChIKeyYUBFRJLQKLHDMS-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.08
Rot. Bonds2

About 1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea

1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea (PubChem CID 103977252) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea
PubChem CID103977252
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea
SMILESCC(NC(=O)NC(C)(C)C)C1CCNC1
InChIInChI=1S/C11H23N3O/c1-8(9-5-6-12-7-9)13-10(15)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H2,13,14,15)
InChIKeyYUBFRJLQKLHDMS-UHFFFAOYSA-N
XLogP1.08
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[(1S)-1-[(3S)-piperidin-3-yl]ethyl]urea
CID 93096345
1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea
CID 43523388
2-cyclopropyl-N-(1-pyrrolidin-3-ylethyl)propanamide
CID 103977089
N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 103977188
N-(1-pyrrolidin-3-ylethyl)azepane-1-carboxamide
CID 113360894
2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide
CID 103977183
1-(1-piperidin-3-ylethyl)-3-propylurea
CID 43523385
4-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
CID 103977255
N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977078
(1R)-N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 15223500
N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 70272075
N-(1-pyrrolidin-3-ylethyl)morpholine-4-carboxamide
CID 103977253

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea?
The IUPAC name of 1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea (CID 103977252) is 1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea?
The canonical SMILES for 1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea is CC(NC(=O)NC(C)(C)C)C1CCNC1.
What is the InChIKey of 1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea?
The InChIKey is YUBFRJLQKLHDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(9-5-6-12-7-9)13-10(15)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea?
1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea has a molecular weight of 213.32 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea is sourced from PubChem (CID 103977252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).