2-methylbutylurea

C6H14N2O — CID 22179633

IUPAC2-methylbutylurea
SMILESCCC(C)CNC(N)=O
InChIInChI=1S/C6H14N2O/c1-3-5(2)4-8-6(7)9/h5H,3-4H2,1-2H3,(H3,7,8,9)
InChIKeyZTICQDHLCSAUML-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.70
Rot. Bonds3

About 2-methylbutylurea

2-methylbutylurea (PubChem CID 22179633) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-methylbutylurea.

Molecular Properties

Compound Name2-methylbutylurea
PubChem CID22179633
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name2-methylbutylurea
SMILESCCC(C)CNC(N)=O
InChIInChI=1S/C6H14N2O/c1-3-5(2)4-8-6(7)9/h5H,3-4H2,1-2H3,(H3,7,8,9)
InChIKeyZTICQDHLCSAUML-UHFFFAOYSA-N
XLogP0.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylbutylamino)ethylurea
CID 83109541
[(2S)-2-methylbutyl]carbamic acid
CID 147069594
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
2-methylbutylcarbamothioic S-acid
CID 87545764
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
ethane;N-(2-methylbutyl)propanamide
CID 177054062
2-(2-methylbutylamino)-2-oxoacetic acid
CID 62693347
2-amino-N-(2-methylbutyl)butanediamide
CID 62692665
4-methylhexylurea
CID 59582725
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
[(2R)-1-(carbamoylamino)propan-2-yl]urea
CID 3246036

Frequently Asked Questions

What is the IUPAC name of 2-methylbutylurea?
The IUPAC name of 2-methylbutylurea (CID 22179633) is 2-methylbutylurea.
What is the SMILES notation for 2-methylbutylurea?
The canonical SMILES for 2-methylbutylurea is CCC(C)CNC(N)=O.
What is the InChIKey of 2-methylbutylurea?
The InChIKey is ZTICQDHLCSAUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-3-5(2)4-8-6(7)9/h5H,3-4H2,1-2H3,(H3,7,8,9).
What are the key properties of 2-methylbutylurea?
2-methylbutylurea has a molecular weight of 130.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutylurea is sourced from PubChem (CID 22179633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).