3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea

C13H25N3O — CID 115613492

IUPAC3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
SMILESCN1CCC(CN(C)C(=O)NC2CCCC2)C1
InChIInChI=1S/C13H25N3O/c1-15-8-7-11(9-15)10-16(2)13(17)14-12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyGWTNYVBPKDUYNR-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.52
Rot. Bonds3

About 3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea

3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea (PubChem CID 115613492) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
PubChem CID115613492
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
SMILESCN1CCC(CN(C)C(=O)NC2CCCC2)C1
InChIInChI=1S/C13H25N3O/c1-15-8-7-11(9-15)10-16(2)13(17)14-12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyGWTNYVBPKDUYNR-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
1-methyl-1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea
CID 124865822
1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea
CID 95977894
2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide
CID 63275498
methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489
2-(cyclopropylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 63273590
3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 75369748
N-methyl-2-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 63274011
1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
3-[(3S)-1-(2-chlorophenyl)piperidin-3-yl]-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 99818022
3-amino-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 115192849
(2S)-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanedioic acid
CID 63274978

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea?
The IUPAC name of 3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea (CID 115613492) is 3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea is CN1CCC(CN(C)C(=O)NC2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea?
The InChIKey is GWTNYVBPKDUYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15-8-7-11(9-15)10-16(2)13(17)14-12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H,14,17).
What are the key properties of 3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea?
3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea has a molecular weight of 239.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 115613492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).