propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate

C13H26N2O2 — CID 142960117

IUPACpropan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate
SMILESCCC(C)N1CCC(N(C)C(=O)OC(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-6-11(4)15-8-7-12(9-15)14(5)13(16)17-10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyNTMQBYFWBIYAEO-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.34
Rot. Bonds4

About propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate

propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate (PubChem CID 142960117) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate
PubChem CID142960117
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namepropan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate
SMILESCCC(C)N1CCC(N(C)C(=O)OC(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-6-11(4)15-8-7-12(9-15)14(5)13(16)17-10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyNTMQBYFWBIYAEO-UHFFFAOYSA-N
XLogP2.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate
CID 163746580
1-butan-2-yl-N,N-dimethylpiperidin-4-amine
CID 90697678
1-butan-2-yl-3-methoxypyrrolidine
CID 146427472
propan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate
CID 79120558
1-butan-2-yl-N,N-dimethylpiperidine-4-carboxamide
CID 154662665
1-butan-2-yl-3-chloropyrrolidine
CID 79445434
ethyl N-methyl-N-(1-propan-2-ylazetidin-3-yl)carbamate
CID 146427373
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619
(3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide
CID 134267241
3-bromo-1-butan-2-ylpyrrolidine
CID 80675941
tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 119028664
methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate
CID 157028689

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate?
The IUPAC name of propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate (CID 142960117) is propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate.
What is the SMILES notation for propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate?
The canonical SMILES for propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate is CCC(C)N1CCC(N(C)C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate?
The InChIKey is NTMQBYFWBIYAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-11(4)15-8-7-12(9-15)14(5)13(16)17-10(2)3/h10-12H,6-9H2,1-5H3.
What are the key properties of propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate?
propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate has a molecular weight of 242.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate is sourced from PubChem (CID 142960117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).