propan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate

C13H25NO2 — CID 116656757

IUPACpropan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C(=O)OC(C)C)C1CCCC1
InChIInChI=1S/C13H25NO2/c1-10(2)9-14(12-7-5-6-8-12)13(15)16-11(3)4/h10-12H,5-9H2,1-4H3
InChIKeySAEBCJGLCRYUBC-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.43
Rot. Bonds4

About propan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate

propan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate (PubChem CID 116656757) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is propan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate
PubChem CID116656757
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namepropan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C(=O)OC(C)C)C1CCCC1
InChIInChI=1S/C13H25NO2/c1-10(2)9-14(12-7-5-6-8-12)13(15)16-11(3)4/h10-12H,5-9H2,1-4H3
InChIKeySAEBCJGLCRYUBC-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-cyclopentyl-N-methylcarbamate
CID 55282488
2,2,2-trifluoroethyl N-cyclopentyl-N-(2-methylpropyl)carbamate
CID 78983312
2,2,2-trifluoroethyl N-cyclopentyl-N-(3-methylbutyl)carbamate
CID 78983347
Isobutylcarbamate, N-pentyl
CID 91749310
3-methylbutan-2-yl N,N-di(propan-2-yl)carbamate
CID 19913214
propan-2-yl (2R)-2-methylpyrrolidine-1-carboxylate
CID 57061196
3-methylbutan-2-yl N,N-dibutylcarbamate
CID 58096956
Propan-2-yl 2-methylpyrrolidine-1-carboxylate
CID 58164988
2-Methylpropyl 2-methylpyrrolidine-1-carboxylate
CID 58165015
2-methylpropyl (2S)-2-methylpyrrolidine-1-carboxylate
CID 58416331
2-methylpropyl (2R)-2-methylpyrrolidine-1-carboxylate
CID 58416454
2-methylpropyl N-cyclohexyl-N-ethylcarbamate
CID 59217996

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate?
The IUPAC name of propan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate (CID 116656757) is propan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate.
What is the SMILES notation for propan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate?
The canonical SMILES for propan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate is CC(C)CN(C(=O)OC(C)C)C1CCCC1.
What is the InChIKey of propan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate?
The InChIKey is SAEBCJGLCRYUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)9-14(12-7-5-6-8-12)13(15)16-11(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of propan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate?
propan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate has a molecular weight of 227.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-cyclopentyl-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 116656757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).