3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea

C10H22N2O — CID 58469742

IUPAC3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea
SMILESCC(C)C(NC(=O)N(C)C)C(C)C
InChIInChI=1S/C10H22N2O/c1-7(2)9(8(3)4)11-10(13)12(5)6/h7-9H,1-6H3,(H,11,13)
InChIKeyBLDORFVDQMTCTN-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.94
Rot. Bonds3

About 3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea

3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea (PubChem CID 58469742) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea
PubChem CID58469742
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea
SMILESCC(C)C(NC(=O)N(C)C)C(C)C
InChIInChI=1S/C10H22N2O/c1-7(2)9(8(3)4)11-10(13)12(5)6/h7-9H,1-6H3,(H,11,13)
InChIKeyBLDORFVDQMTCTN-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea?
The IUPAC name of 3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea (CID 58469742) is 3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea is CC(C)C(NC(=O)N(C)C)C(C)C.
What is the InChIKey of 3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea?
The InChIKey is BLDORFVDQMTCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-7(2)9(8(3)4)11-10(13)12(5)6/h7-9H,1-6H3,(H,11,13).
What are the key properties of 3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea?
3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea has a molecular weight of 186.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpentan-3-yl)-1,1-dimethylurea is sourced from PubChem (CID 58469742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).