tert-butyl N-(1-methylcyclopropyl)carbamate;ethane

C13H29NO2 — CID 144869445

IUPACtert-butyl N-(1-methylcyclopropyl)carbamate;ethane
SMILESCC.CC.CC1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C9H17NO2.2C2H6/c1-8(2,3)12-7(11)10-9(4)5-6-9;2*1-2/h5-6H2,1-4H3,(H,10,11);2*1-2H3
InChIKeyBOVYTIXBHDWRQZ-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.12
Rot. Bonds1

About tert-butyl N-(1-methylcyclopropyl)carbamate;ethane

tert-butyl N-(1-methylcyclopropyl)carbamate;ethane (PubChem CID 144869445) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is tert-butyl N-(1-methylcyclopropyl)carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-(1-methylcyclopropyl)carbamate;ethane
PubChem CID144869445
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Nametert-butyl N-(1-methylcyclopropyl)carbamate;ethane
SMILESCC.CC.CC1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C9H17NO2.2C2H6/c1-8(2,3)12-7(11)10-9(4)5-6-9;2*1-2/h5-6H2,1-4H3,(H,10,11);2*1-2H3
InChIKeyBOVYTIXBHDWRQZ-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane
CID 142326878
tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate
CID 169494715
tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate
CID 135177659
tert-butyl N-(1,1-dihydroxy-3-methylthietan-3-yl)carbamate
CID 171922241
tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate
CID 126970299
tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate
CID 20811777
tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 164896897
tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate
CID 154784625
tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate
CID 167723970
tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate
CID 134435769
tert-butyl N-(3-methyl-5-oxopyrrolidin-3-yl)carbamate
CID 105467655

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-methylcyclopropyl)carbamate;ethane?
The IUPAC name of tert-butyl N-(1-methylcyclopropyl)carbamate;ethane (CID 144869445) is tert-butyl N-(1-methylcyclopropyl)carbamate;ethane.
What is the SMILES notation for tert-butyl N-(1-methylcyclopropyl)carbamate;ethane?
The canonical SMILES for tert-butyl N-(1-methylcyclopropyl)carbamate;ethane is CC.CC.CC1(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-(1-methylcyclopropyl)carbamate;ethane?
The InChIKey is BOVYTIXBHDWRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.2C2H6/c1-8(2,3)12-7(11)10-9(4)5-6-9;2*1-2/h5-6H2,1-4H3,(H,10,11);2*1-2H3.
What are the key properties of tert-butyl N-(1-methylcyclopropyl)carbamate;ethane?
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane has a molecular weight of 231.38 g/mol, XLogP of 4.12, 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-methylcyclopropyl)carbamate;ethane is sourced from PubChem (CID 144869445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).