1,1-ditert-butyl-3-methylurea

C10H22N2O — CID 20791007

IUPAC1,1-ditert-butyl-3-methylurea
SMILESCNC(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H22N2O/c1-9(2,3)12(8(13)11-7)10(4,5)6/h1-7H3,(H,11,13)
InChIKeyKADVLPOQXNAMEV-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.22
Rot. Bonds

About 1,1-ditert-butyl-3-methylurea

1,1-ditert-butyl-3-methylurea (PubChem CID 20791007) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1,1-ditert-butyl-3-methylurea.

Molecular Properties

Compound Name1,1-ditert-butyl-3-methylurea
PubChem CID20791007
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1,1-ditert-butyl-3-methylurea
SMILESCNC(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H22N2O/c1-9(2,3)12(8(13)11-7)10(4,5)6/h1-7H3,(H,11,13)
InChIKeyKADVLPOQXNAMEV-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Dibutyl-N'-methylurea
CID 210426
Urea, N-(1,1-dimethylethyl)-N'-methyl-
CID 349971
Urea, 1,1-dipropyl-3-methyl-
CID 215877
1,1-Diisopropyl-3-methylurea
CID 12829062
N-butyl-N'-t-butylurea
CID 13179371
Urea, N-tert-butyl-N',N'-diethyl-
CID 17257241
1-[4-(Diethylamino)but-2-ynyl]-1,3-dimethylurea
CID 15167048
1-[4-(Dimethylamino)but-2-ynyl]-1-ethyl-3-methylurea
CID 15167053
N,N,N'-Tripropan-2-ylurea
CID 12829063
1-(t-Butyl)-1-ethylurea
CID 19354675
1-t-Butyl-3-ethyl urea
CID 20434688
1-(t-Butyl)-1-isopropylurea
CID 118691244

Frequently Asked Questions

What is the IUPAC name of 1,1-ditert-butyl-3-methylurea?
The IUPAC name of 1,1-ditert-butyl-3-methylurea (CID 20791007) is 1,1-ditert-butyl-3-methylurea.
What is the SMILES notation for 1,1-ditert-butyl-3-methylurea?
The canonical SMILES for 1,1-ditert-butyl-3-methylurea is CNC(=O)N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1,1-ditert-butyl-3-methylurea?
The InChIKey is KADVLPOQXNAMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2,3)12(8(13)11-7)10(4,5)6/h1-7H3,(H,11,13).
What are the key properties of 1,1-ditert-butyl-3-methylurea?
1,1-ditert-butyl-3-methylurea has a molecular weight of 186.30 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-ditert-butyl-3-methylurea is sourced from PubChem (CID 20791007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).