1,1-dimethyl-3-propan-2-yl-3-propylurea

C9H20N2O — CID 84515032

IUPAC1,1-dimethyl-3-propan-2-yl-3-propylurea
SMILESCCCN(C(=O)N(C)C)C(C)C
InChIInChI=1S/C9H20N2O/c1-6-7-11(8(2)3)9(12)10(4)5/h8H,6-7H2,1-5H3
InChIKeyOCLVDWPGUYDFFD-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.79
Rot. Bonds3

About 1,1-dimethyl-3-propan-2-yl-3-propylurea

1,1-dimethyl-3-propan-2-yl-3-propylurea (PubChem CID 84515032) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,1-dimethyl-3-propan-2-yl-3-propylurea.

Molecular Properties

Compound Name1,1-dimethyl-3-propan-2-yl-3-propylurea
PubChem CID84515032
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1,1-dimethyl-3-propan-2-yl-3-propylurea
SMILESCCCN(C(=O)N(C)C)C(C)C
InChIInChI=1S/C9H20N2O/c1-6-7-11(8(2)3)9(12)10(4)5/h8H,6-7H2,1-5H3
InChIKeyOCLVDWPGUYDFFD-UHFFFAOYSA-N
XLogP1.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-propan-2-yl-3-propylurea?
The IUPAC name of 1,1-dimethyl-3-propan-2-yl-3-propylurea (CID 84515032) is 1,1-dimethyl-3-propan-2-yl-3-propylurea.
What is the SMILES notation for 1,1-dimethyl-3-propan-2-yl-3-propylurea?
The canonical SMILES for 1,1-dimethyl-3-propan-2-yl-3-propylurea is CCCN(C(=O)N(C)C)C(C)C.
What is the InChIKey of 1,1-dimethyl-3-propan-2-yl-3-propylurea?
The InChIKey is OCLVDWPGUYDFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6-7-11(8(2)3)9(12)10(4)5/h8H,6-7H2,1-5H3.
What are the key properties of 1,1-dimethyl-3-propan-2-yl-3-propylurea?
1,1-dimethyl-3-propan-2-yl-3-propylurea has a molecular weight of 172.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-propan-2-yl-3-propylurea is sourced from PubChem (CID 84515032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).