1,1-diethyl-3-methyl-3-propan-2-ylurea

C9H20N2O — CID 89002923

IUPAC1,1-diethyl-3-methyl-3-propan-2-ylurea
SMILESCCN(CC)C(=O)N(C)C(C)C
InChIInChI=1S/C9H20N2O/c1-6-11(7-2)9(12)10(5)8(3)4/h8H,6-7H2,1-5H3
InChIKeyKPSAJEJXYGHMNY-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.79
Rot. Bonds3

About 1,1-diethyl-3-methyl-3-propan-2-ylurea

1,1-diethyl-3-methyl-3-propan-2-ylurea (PubChem CID 89002923) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,1-diethyl-3-methyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1,1-diethyl-3-methyl-3-propan-2-ylurea
PubChem CID89002923
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1,1-diethyl-3-methyl-3-propan-2-ylurea
SMILESCCN(CC)C(=O)N(C)C(C)C
InChIInChI=1S/C9H20N2O/c1-6-11(7-2)9(12)10(5)8(3)4/h8H,6-7H2,1-5H3
InChIKeyKPSAJEJXYGHMNY-UHFFFAOYSA-N
XLogP1.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,3,3-tetraethylurea;hydrofluoride
CID 175553250
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide
CID 86911516
1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea
CID 115897760
3-[diethylcarbamoyl(methyl)amino]-4,4,4-trifluorobutanoic acid
CID 167791495
1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
CID 115618579
3-[[butan-2-yl(methyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62853736
2-chloro-N-methyl-N-propan-2-ylacetamide
CID 8899730
1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea
CID 159273198
2-[ethyl(propan-2-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 176579290
3-(diethylcarbamoylamino)-1,1-dimethylurea
CID 54356119
2-[[cyclopropylmethyl(ethyl)carbamoyl]-methylamino]propanoic acid
CID 63956264
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid
CID 55097076

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-methyl-3-propan-2-ylurea?
The IUPAC name of 1,1-diethyl-3-methyl-3-propan-2-ylurea (CID 89002923) is 1,1-diethyl-3-methyl-3-propan-2-ylurea.
What is the SMILES notation for 1,1-diethyl-3-methyl-3-propan-2-ylurea?
The canonical SMILES for 1,1-diethyl-3-methyl-3-propan-2-ylurea is CCN(CC)C(=O)N(C)C(C)C.
What is the InChIKey of 1,1-diethyl-3-methyl-3-propan-2-ylurea?
The InChIKey is KPSAJEJXYGHMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6-11(7-2)9(12)10(5)8(3)4/h8H,6-7H2,1-5H3.
What are the key properties of 1,1-diethyl-3-methyl-3-propan-2-ylurea?
1,1-diethyl-3-methyl-3-propan-2-ylurea has a molecular weight of 172.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-methyl-3-propan-2-ylurea is sourced from PubChem (CID 89002923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).