1,1-dimethyl-3-(3-methylbutyl)urea

C8H18N2O — CID 19801237

IUPAC1,1-dimethyl-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)N(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)5-6-9-8(11)10(3)4/h7H,5-6H2,1-4H3,(H,9,11)
InChIKeySQMLVUKAVBHUIW-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.30
Rot. Bonds3

About 1,1-dimethyl-3-(3-methylbutyl)urea

1,1-dimethyl-3-(3-methylbutyl)urea (PubChem CID 19801237) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1,1-dimethyl-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(3-methylbutyl)urea
PubChem CID19801237
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1,1-dimethyl-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)N(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)5-6-9-8(11)10(3)4/h7H,5-6H2,1-4H3,(H,9,11)
InChIKeySQMLVUKAVBHUIW-UHFFFAOYSA-N
XLogP1.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(3-methylbutyl)urea?
The IUPAC name of 1,1-dimethyl-3-(3-methylbutyl)urea (CID 19801237) is 1,1-dimethyl-3-(3-methylbutyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(3-methylbutyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(3-methylbutyl)urea is CC(C)CCNC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-(3-methylbutyl)urea?
The InChIKey is SQMLVUKAVBHUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)5-6-9-8(11)10(3)4/h7H,5-6H2,1-4H3,(H,9,11).
What are the key properties of 1,1-dimethyl-3-(3-methylbutyl)urea?
1,1-dimethyl-3-(3-methylbutyl)urea has a molecular weight of 158.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(3-methylbutyl)urea is sourced from PubChem (CID 19801237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).