propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate

C12H22N2O2 — CID 106599450

IUPACpropan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate
SMILESCC(C)OC(=O)N(CC1CCCN1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-9(2)16-12(15)14(11-5-6-11)8-10-4-3-7-13-10/h9-11,13H,3-8H2,1-2H3
InChIKeyKFDCNQGLDQHXFR-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.75
Rot. Bonds4

About propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate

propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate (PubChem CID 106599450) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate
PubChem CID106599450
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namepropan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate
SMILESCC(C)OC(=O)N(CC1CCCN1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-9(2)16-12(15)14(11-5-6-11)8-10-4-3-7-13-10/h9-11,13H,3-8H2,1-2H3
InChIKeyKFDCNQGLDQHXFR-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
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N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
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N-cyclopropyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
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propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate
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propan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate
CID 116656757
propan-2-yl N-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]carbamate
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N,N-dimethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]piperidine-1-carboxamide
CID 106602681
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate?
The IUPAC name of propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate (CID 106599450) is propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate.
What is the SMILES notation for propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate?
The canonical SMILES for propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate is CC(C)OC(=O)N(CC1CCCN1)C1CC1.
What is the InChIKey of propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate?
The InChIKey is KFDCNQGLDQHXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)16-12(15)14(11-5-6-11)8-10-4-3-7-13-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate?
propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate has a molecular weight of 226.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate is sourced from PubChem (CID 106599450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).