1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea

C12H27N3O — CID 115585870

IUPAC1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea
SMILESCC(C)C(CN(C)C)NC(=O)NC(C)(C)C
InChIInChI=1S/C12H27N3O/c1-9(2)10(8-15(6)7)13-11(16)14-12(3,4)5/h9-10H,8H2,1-7H3,(H2,13,14,16)
InChIKeyKLPDXMMFTJGRCX-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.67
Rot. Bonds4

About 1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea

1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea (PubChem CID 115585870) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea
PubChem CID115585870
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea
SMILESCC(C)C(CN(C)C)NC(=O)NC(C)(C)C
InChIInChI=1S/C12H27N3O/c1-9(2)10(8-15(6)7)13-11(16)14-12(3,4)5/h9-10H,8H2,1-7H3,(H2,13,14,16)
InChIKeyKLPDXMMFTJGRCX-UHFFFAOYSA-N
XLogP1.67
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid
CID 54958910
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid
CID 61479125
1-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea
CID 115585871
1-tert-butyl-3-[(2S)-3,3-dimethylbutan-2-yl]urea
CID 159105073
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylamino)propanamide
CID 62639532
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822020
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid
CID 61480028
1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 61478777
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 82939623
ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate
CID 61478574
5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 55156179
(2S)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61478566

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea?
The IUPAC name of 1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea (CID 115585870) is 1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea is CC(C)C(CN(C)C)NC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea?
The InChIKey is KLPDXMMFTJGRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-9(2)10(8-15(6)7)13-11(16)14-12(3,4)5/h9-10H,8H2,1-7H3,(H2,13,14,16).
What are the key properties of 1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea?
1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea has a molecular weight of 229.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea is sourced from PubChem (CID 115585870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).