1,1-bis(cyclopropylmethyl)-3,3-diethylurea

C13H24N2O — CID 115629557

IUPAC1,1-bis(cyclopropylmethyl)-3,3-diethylurea
SMILESCCN(CC)C(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C13H24N2O/c1-3-14(4-2)13(16)15(9-11-5-6-11)10-12-7-8-12/h11-12H,3-10H2,1-2H3
InChIKeyJKCQJXCQJDQIIS-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.57
Rot. Bonds6

About 1,1-bis(cyclopropylmethyl)-3,3-diethylurea

1,1-bis(cyclopropylmethyl)-3,3-diethylurea (PubChem CID 115629557) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,1-bis(cyclopropylmethyl)-3,3-diethylurea.

Molecular Properties

Compound Name1,1-bis(cyclopropylmethyl)-3,3-diethylurea
PubChem CID115629557
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1,1-bis(cyclopropylmethyl)-3,3-diethylurea
SMILESCCN(CC)C(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C13H24N2O/c1-3-14(4-2)13(16)15(9-11-5-6-11)10-12-7-8-12/h11-12H,3-10H2,1-2H3
InChIKeyJKCQJXCQJDQIIS-UHFFFAOYSA-N
XLogP2.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464
N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide
CID 23534016
1,1,3,3-tetraethylurea;hydrofluoride
CID 175553250
N-(cyclopropylmethyl)-N-ethyl-2-(methylamino)acetamide
CID 63954155
2-[[cyclopropylmethyl(ethyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79284715
2-[[cyclopropylmethyl(ethyl)carbamoyl]-methylamino]propanoic acid
CID 63956264
4-[cyclopropylmethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63955071
3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820640
1-(cyclopropylmethyl)-1-ethyl-3-propylurea
CID 115622668
4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide
CID 63956164
3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide
CID 63954762
N-(cyclopropylmethyl)-N-ethyl-5-hydroxypentanamide
CID 79209482

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(cyclopropylmethyl)-3,3-diethylurea?
The IUPAC name of 1,1-bis(cyclopropylmethyl)-3,3-diethylurea (CID 115629557) is 1,1-bis(cyclopropylmethyl)-3,3-diethylurea.
What is the SMILES notation for 1,1-bis(cyclopropylmethyl)-3,3-diethylurea?
The canonical SMILES for 1,1-bis(cyclopropylmethyl)-3,3-diethylurea is CCN(CC)C(=O)N(CC1CC1)CC1CC1.
What is the InChIKey of 1,1-bis(cyclopropylmethyl)-3,3-diethylurea?
The InChIKey is JKCQJXCQJDQIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-14(4-2)13(16)15(9-11-5-6-11)10-12-7-8-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 1,1-bis(cyclopropylmethyl)-3,3-diethylurea?
1,1-bis(cyclopropylmethyl)-3,3-diethylurea has a molecular weight of 224.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(cyclopropylmethyl)-3,3-diethylurea is sourced from PubChem (CID 115629557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).