1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea

C10H21N3O — CID 106613421

IUPAC1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea
SMILESCC(C)CN(CC1CCCN1)C(N)=O
InChIInChI=1S/C10H21N3O/c1-8(2)6-13(10(11)14)7-9-4-3-5-12-9/h8-9,12H,3-7H2,1-2H3,(H2,11,14)
InChIKeyVXIBUUYRNIXIDO-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.78
Rot. Bonds4

About 1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea

1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea (PubChem CID 106613421) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea
PubChem CID106613421
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea
SMILESCC(C)CN(CC1CCCN1)C(N)=O
InChIInChI=1S/C10H21N3O/c1-8(2)6-13(10(11)14)7-9-4-3-5-12-9/h8-9,12H,3-7H2,1-2H3,(H2,11,14)
InChIKeyVXIBUUYRNIXIDO-UHFFFAOYSA-N
XLogP0.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea (CID 106613421) is 1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea is CC(C)CN(CC1CCCN1)C(N)=O.
What is the InChIKey of 1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is VXIBUUYRNIXIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)6-13(10(11)14)7-9-4-3-5-12-9/h8-9,12H,3-7H2,1-2H3,(H2,11,14).
What are the key properties of 1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea?
1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 199.30 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 106613421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).