1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea

C10H20N2O — CID 123232495

IUPAC1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea
SMILESCCCN(C)C(=O)N(C)C=C(C)C
InChIInChI=1S/C10H20N2O/c1-6-7-11(4)10(13)12(5)8-9(2)3/h8H,6-7H2,1-5H3
InChIKeyIAMICTXUYHSCAW-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.30
Rot. Bonds3

About 1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea

1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea (PubChem CID 123232495) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea.

Molecular Properties

Compound Name1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea
PubChem CID123232495
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea
SMILESCCCN(C)C(=O)N(C)C=C(C)C
InChIInChI=1S/C10H20N2O/c1-6-7-11(4)10(13)12(5)8-9(2)3/h8H,6-7H2,1-5H3
InChIKeyIAMICTXUYHSCAW-UHFFFAOYSA-N
XLogP2.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea?
The IUPAC name of 1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea (CID 123232495) is 1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea.
What is the SMILES notation for 1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea?
The canonical SMILES for 1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea is CCCN(C)C(=O)N(C)C=C(C)C.
What is the InChIKey of 1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea?
The InChIKey is IAMICTXUYHSCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-6-7-11(4)10(13)12(5)8-9(2)3/h8H,6-7H2,1-5H3.
What are the key properties of 1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea?
1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea has a molecular weight of 184.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea is sourced from PubChem (CID 123232495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).