1-butan-2-yl-1,3-dimethylurea

C7H16N2O — CID 87182460

IUPAC1-butan-2-yl-1,3-dimethylurea
SMILESCCC(C)N(C)C(=O)NC
InChIInChI=1S/C7H16N2O/c1-5-6(2)9(4)7(10)8-3/h6H,5H2,1-4H3,(H,8,10)
InChIKeyNNZMQXOJAKKPBC-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.06
Rot. Bonds2

About 1-butan-2-yl-1,3-dimethylurea

1-butan-2-yl-1,3-dimethylurea (PubChem CID 87182460) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-butan-2-yl-1,3-dimethylurea.

Molecular Properties

Compound Name1-butan-2-yl-1,3-dimethylurea
PubChem CID87182460
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-butan-2-yl-1,3-dimethylurea
SMILESCCC(C)N(C)C(=O)NC
InChIInChI=1S/C7H16N2O/c1-5-6(2)9(4)7(10)8-3/h6H,5H2,1-4H3,(H,8,10)
InChIKeyNNZMQXOJAKKPBC-UHFFFAOYSA-N
XLogP1.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-3-cyclopentyl-1-methylurea
CID 115584177
2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61196445
1-(3,3-dimethylbutan-2-yl)-1,3-dimethylurea
CID 115578826
3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266474
1,3-dimethyl-1-(1,2,2,2-tetrachloroethyl)urea
CID 12906099
3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176137
(2S)-2-[[butan-2-yl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826100
5-[[butan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686220
(2S)-2-[[butan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194747
CID 142345131
CID 142345131
1-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 59108349
N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide
CID 167181604

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-1,3-dimethylurea?
The IUPAC name of 1-butan-2-yl-1,3-dimethylurea (CID 87182460) is 1-butan-2-yl-1,3-dimethylurea.
What is the SMILES notation for 1-butan-2-yl-1,3-dimethylurea?
The canonical SMILES for 1-butan-2-yl-1,3-dimethylurea is CCC(C)N(C)C(=O)NC.
What is the InChIKey of 1-butan-2-yl-1,3-dimethylurea?
The InChIKey is NNZMQXOJAKKPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-5-6(2)9(4)7(10)8-3/h6H,5H2,1-4H3,(H,8,10).
What are the key properties of 1-butan-2-yl-1,3-dimethylurea?
1-butan-2-yl-1,3-dimethylurea has a molecular weight of 144.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1,3-dimethylurea is sourced from PubChem (CID 87182460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).