1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea

C10H20N2O — CID 123545126

IUPAC1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea
SMILESCCC(C)=C(CC)N(C)C(=O)NC
InChIInChI=1S/C10H20N2O/c1-6-8(3)9(7-2)12(5)10(13)11-4/h6-7H2,1-5H3,(H,11,13)
InChIKeyVBXKFUTWFKQYCY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.35
Rot. Bonds3

About 1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea

1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea (PubChem CID 123545126) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea
PubChem CID123545126
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea
SMILESCCC(C)=C(CC)N(C)C(=O)NC
InChIInChI=1S/C10H20N2O/c1-6-8(3)9(7-2)12(5)10(13)11-4/h6-7H2,1-5H3,(H,11,13)
InChIKeyVBXKFUTWFKQYCY-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea?
The IUPAC name of 1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea (CID 123545126) is 1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea.
What is the SMILES notation for 1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea?
The canonical SMILES for 1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea is CCC(C)=C(CC)N(C)C(=O)NC.
What is the InChIKey of 1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea?
The InChIKey is VBXKFUTWFKQYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-6-8(3)9(7-2)12(5)10(13)11-4/h6-7H2,1-5H3,(H,11,13).
What are the key properties of 1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea?
1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea has a molecular weight of 184.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(4-methylhex-3-en-3-yl)urea is sourced from PubChem (CID 123545126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).