tert-butyl N-(1,2-dimethylcyclopentyl)carbamate

C12H23NO2 — CID 118317015

IUPACtert-butyl N-(1,2-dimethylcyclopentyl)carbamate
SMILESCC1CCCC1(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9-7-6-8-12(9,5)13-10(14)15-11(2,3)4/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyBRSLFWLPBNVHJT-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.09
Rot. Bonds1

About tert-butyl N-(1,2-dimethylcyclopentyl)carbamate

tert-butyl N-(1,2-dimethylcyclopentyl)carbamate (PubChem CID 118317015) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl N-(1,2-dimethylcyclopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,2-dimethylcyclopentyl)carbamate
PubChem CID118317015
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl N-(1,2-dimethylcyclopentyl)carbamate
SMILESCC1CCCC1(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9-7-6-8-12(9,5)13-10(14)15-11(2,3)4/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyBRSLFWLPBNVHJT-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1R,2R)-1-carbamoyl-2-methylcyclohexyl]carbamate
CID 95903186
tert-butyl N-[(1S,2R)-1-cyano-2-methylcyclohexyl]carbamate
CID 97416660
tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate
CID 86778100
2,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 64756805
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl N-[1-(bromomethyl)-3-methylcyclohexyl]carbamate
CID 114314705
tert-butyl N-[1-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]cyclopentyl]carbamate
CID 118308073
cis-(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 57348144
tert-butyl N-[(3S,4R)-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxepan-4-yl]carbamate
CID 170031625
2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 81320527
tert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate
CID 68861367
tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate
CID 90065651

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,2-dimethylcyclopentyl)carbamate?
The IUPAC name of tert-butyl N-(1,2-dimethylcyclopentyl)carbamate (CID 118317015) is tert-butyl N-(1,2-dimethylcyclopentyl)carbamate.
What is the SMILES notation for tert-butyl N-(1,2-dimethylcyclopentyl)carbamate?
The canonical SMILES for tert-butyl N-(1,2-dimethylcyclopentyl)carbamate is CC1CCCC1(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1,2-dimethylcyclopentyl)carbamate?
The InChIKey is BRSLFWLPBNVHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-7-6-8-12(9,5)13-10(14)15-11(2,3)4/h9H,6-8H2,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-(1,2-dimethylcyclopentyl)carbamate?
tert-butyl N-(1,2-dimethylcyclopentyl)carbamate has a molecular weight of 213.32 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,2-dimethylcyclopentyl)carbamate is sourced from PubChem (CID 118317015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).