3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea

C11H25N3O — CID 18460882

IUPAC3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea
SMILESCC(C)N(C(=O)NCC(C)(C)N)C(C)C
InChIInChI=1S/C11H25N3O/c1-8(2)14(9(3)4)10(15)13-7-11(5,6)12/h8-9H,7,12H2,1-6H3,(H,13,15)
InChIKeyXKEYPRPEAPWGAJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds4

About 3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea

3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea (PubChem CID 18460882) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea
PubChem CID18460882
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea
SMILESCC(C)N(C(=O)NCC(C)(C)N)C(C)C
InChIInChI=1S/C11H25N3O/c1-8(2)14(9(3)4)10(15)13-7-11(5,6)12/h8-9H,7,12H2,1-6H3,(H,13,15)
InChIKeyXKEYPRPEAPWGAJ-UHFFFAOYSA-N
XLogP1.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea?
The IUPAC name of 3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea (CID 18460882) is 3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea?
The canonical SMILES for 3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea is CC(C)N(C(=O)NCC(C)(C)N)C(C)C.
What is the InChIKey of 3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea?
The InChIKey is XKEYPRPEAPWGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-8(2)14(9(3)4)10(15)13-7-11(5,6)12/h8-9H,7,12H2,1-6H3,(H,13,15).
What are the key properties of 3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea?
3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea has a molecular weight of 215.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)-1,1-di(propan-2-yl)urea is sourced from PubChem (CID 18460882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).