3-methyl-1,1-bis(2-methylpropyl)urea

C10H22N2O — CID 15539164

IUPAC3-methyl-1,1-bis(2-methylpropyl)urea
SMILESCNC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C10H22N2O/c1-8(2)6-12(7-9(3)4)10(13)11-5/h8-9H,6-7H2,1-5H3,(H,11,13)
InChIKeyURMPXBCEIIOFBV-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.94
Rot. Bonds4

About 3-methyl-1,1-bis(2-methylpropyl)urea

3-methyl-1,1-bis(2-methylpropyl)urea (PubChem CID 15539164) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-methyl-1,1-bis(2-methylpropyl)urea.

Molecular Properties

Compound Name3-methyl-1,1-bis(2-methylpropyl)urea
PubChem CID15539164
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-methyl-1,1-bis(2-methylpropyl)urea
SMILESCNC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C10H22N2O/c1-8(2)6-12(7-9(3)4)10(13)11-5/h8-9H,6-7H2,1-5H3,(H,11,13)
InChIKeyURMPXBCEIIOFBV-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 59108349
3-butan-2-yl-1,1-bis(2-methylpropyl)urea
CID 45366563
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
3-[bis(2-methylpropyl)carbamoylamino]propanoic acid
CID 61378500
S-methyl N,N-bis(2-methylpropyl)carbamothioate
CID 20780776
N,N-bis(2-methylpropyl)-2-oxopropanamide
CID 10910517
bis(2-methylpropyl)carbamoyl-oxophosphanium
CID 149152726
1,1-diethyl-3-methylurea;methane;propane
CID 160547230
6-[bis(2-methylpropyl)carbamoylamino]-6-oxohexanoic acid
CID 61378859
3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea
CID 60546714
4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid
CID 62049660
(2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide
CID 92660582

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-bis(2-methylpropyl)urea?
The IUPAC name of 3-methyl-1,1-bis(2-methylpropyl)urea (CID 15539164) is 3-methyl-1,1-bis(2-methylpropyl)urea.
What is the SMILES notation for 3-methyl-1,1-bis(2-methylpropyl)urea?
The canonical SMILES for 3-methyl-1,1-bis(2-methylpropyl)urea is CNC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 3-methyl-1,1-bis(2-methylpropyl)urea?
The InChIKey is URMPXBCEIIOFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)6-12(7-9(3)4)10(13)11-5/h8-9H,6-7H2,1-5H3,(H,11,13).
What are the key properties of 3-methyl-1,1-bis(2-methylpropyl)urea?
3-methyl-1,1-bis(2-methylpropyl)urea has a molecular weight of 186.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-bis(2-methylpropyl)urea is sourced from PubChem (CID 15539164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).