3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea

C12H27N3O — CID 104624160

IUPAC3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C12H27N3O/c1-7-15(8-2)11(16)13-9-12(3,4)10-14(5)6/h7-10H2,1-6H3,(H,13,16)
InChIKeyMHJMTFOGPXGNCV-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.63
Rot. Bonds6

About 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea

3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea (PubChem CID 104624160) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea
PubChem CID104624160
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C12H27N3O/c1-7-15(8-2)11(16)13-9-12(3,4)10-14(5)6/h7-10H2,1-6H3,(H,13,16)
InChIKeyMHJMTFOGPXGNCV-UHFFFAOYSA-N
XLogP1.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
CID 63646436
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400
2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid
CID 62637361
2-[butan-2-yl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
CID 61182248
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-2-methylpropanamide
CID 62832837
tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
CID 65142819
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
CID 3018570
3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812631
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpropanamide;dihydrochloride
CID 119828440
3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103824126
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 113308075
2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2-methylbutanoic acid
CID 79798346

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea?
The IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea (CID 104624160) is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea.
What is the SMILES notation for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea?
The canonical SMILES for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea is CCN(CC)C(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea?
The InChIKey is MHJMTFOGPXGNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-7-15(8-2)11(16)13-9-12(3,4)10-14(5)6/h7-10H2,1-6H3,(H,13,16).
What are the key properties of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea?
3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea has a molecular weight of 229.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,1-diethylurea is sourced from PubChem (CID 104624160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).