[2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate

C11H22N2O2 — CID 150084417

IUPAC[2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate
SMILESCC1(CCC(C)(C)OC(N)=O)CCNC1
InChIInChI=1S/C11H22N2O2/c1-10(2,15-9(12)14)4-5-11(3)6-7-13-8-11/h13H,4-8H2,1-3H3,(H2,12,14)
InChIKeyDRXRDOXEBCRSGE-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.64
Rot. Bonds4

About [2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate

[2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate (PubChem CID 150084417) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate
PubChem CID150084417
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate
SMILESCC1(CCC(C)(C)OC(N)=O)CCNC1
InChIInChI=1S/C11H22N2O2/c1-10(2,15-9(12)14)4-5-11(3)6-7-13-8-11/h13H,4-8H2,1-3H3,(H2,12,14)
InChIKeyDRXRDOXEBCRSGE-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate?
The IUPAC name of [2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate (CID 150084417) is [2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate.
What is the SMILES notation for [2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate?
The canonical SMILES for [2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate is CC1(CCC(C)(C)OC(N)=O)CCNC1.
What is the InChIKey of [2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate?
The InChIKey is DRXRDOXEBCRSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,15-9(12)14)4-5-11(3)6-7-13-8-11/h13H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of [2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate?
[2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate is sourced from PubChem (CID 150084417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).