2,4-dimethylpentan-3-ylurea

C8H18N2O — CID 58469130

IUPAC2,4-dimethylpentan-3-ylurea
SMILESCC(C)C(NC(N)=O)C(C)C
InChIInChI=1S/C8H18N2O/c1-5(2)7(6(3)4)10-8(9)11/h5-7H,1-4H3,(H3,9,10,11)
InChIKeyBEAASFCLTATCBA-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.34
Rot. Bonds3

About 2,4-dimethylpentan-3-ylurea

2,4-dimethylpentan-3-ylurea (PubChem CID 58469130) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-ylurea.

Molecular Properties

Compound Name2,4-dimethylpentan-3-ylurea
PubChem CID58469130
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2,4-dimethylpentan-3-ylurea
SMILESCC(C)C(NC(N)=O)C(C)C
InChIInChI=1S/C8H18N2O/c1-5(2)7(6(3)4)10-8(9)11/h5-7H,1-4H3,(H3,9,10,11)
InChIKeyBEAASFCLTATCBA-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-ylurea?
The IUPAC name of 2,4-dimethylpentan-3-ylurea (CID 58469130) is 2,4-dimethylpentan-3-ylurea.
What is the SMILES notation for 2,4-dimethylpentan-3-ylurea?
The canonical SMILES for 2,4-dimethylpentan-3-ylurea is CC(C)C(NC(N)=O)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-ylurea?
The InChIKey is BEAASFCLTATCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5(2)7(6(3)4)10-8(9)11/h5-7H,1-4H3,(H3,9,10,11).
What are the key properties of 2,4-dimethylpentan-3-ylurea?
2,4-dimethylpentan-3-ylurea has a molecular weight of 158.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-ylurea is sourced from PubChem (CID 58469130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).