3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea

C13H27N3O — CID 113223972

IUPAC3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C13H27N3O/c1-5-16(6-2)12(17)14-11-13(15(3)4)9-7-8-10-13/h5-11H2,1-4H3,(H,14,17)
InChIKeyNVWXDQGWQCYEFA-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.91
Rot. Bonds5

About 3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea

3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea (PubChem CID 113223972) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea
PubChem CID113223972
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C13H27N3O/c1-5-16(6-2)12(17)14-11-13(15(3)4)9-7-8-10-13/h5-11H2,1-4H3,(H,14,17)
InChIKeyNVWXDQGWQCYEFA-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(Dimethylamino)cyclopentyl]methyl]-3-(2,2,2-trifluoroethyl)urea
CID 113223442
1-[1-(Aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 113462967
1-[1-(Aminomethyl)cyclopentyl]-3-(2,2,2-trifluoroethyl)urea
CID 116012822
1-[1-(Aminomethyl)cyclopentyl]-1-ethyl-3-(2,2,2-trifluoroethyl)urea
CID 116012846
1-[1-(Aminomethyl)cyclopentyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea
CID 116012847
3-[(1-Fluorocyclopentyl)methyl]-1,1-dimethylurea
CID 130666835
1-Cyclopropyl-3-[[1-(dimethylamino)cyclopentyl]methyl]urea
CID 53525281
1-Methyl-1,3-diazaspiro[4.5]decan-2-one
CID 12620361
1-Methyl-1,3-diazaspiro[4.4]nonan-2-one
CID 14088190
1-[2-(5-Methylhexan-2-ylamino)ethyl]imidazolidin-2-one
CID 20684947
1-(Cyclopentylmethyl)imidazolidin-2-one
CID 21749734
4,4-Dipropylimidazolidin-2-one
CID 53707213

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea?
The IUPAC name of 3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea (CID 113223972) is 3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea?
The canonical SMILES for 3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea is CCN(CC)C(=O)NCC1(N(C)C)CCCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea?
The InChIKey is NVWXDQGWQCYEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-16(6-2)12(17)14-11-13(15(3)4)9-7-8-10-13/h5-11H2,1-4H3,(H,14,17).
What are the key properties of 3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea?
3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea has a molecular weight of 241.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea is sourced from PubChem (CID 113223972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).