tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane

C17H38N2O2 — CID 144770393

IUPACtert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane
SMILESCC.CC.CCN(CC1CNCC1C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2.2C2H6/c1-6-15(12(16)17-13(3,4)5)9-11-8-14-7-10(11)2;2*1-2/h10-11,14H,6-9H2,1-5H3;2*1-2H3
InChIKeyLHDSTAGHDNOUIO-UHFFFAOYSA-N
MW302.50 g/mol
LogP4.15
Rot. Bonds3

About tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane

tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane (PubChem CID 144770393) has the molecular formula C17H38N2O2 and a molecular weight of 302.50 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane
PubChem CID144770393
Molecular FormulaC17H38N2O2
Molecular Weight302.50 g/mol
Exact Mass302.29
IUPAC Nametert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane
SMILESCC.CC.CCN(CC1CNCC1C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2.2C2H6/c1-6-15(12(16)17-13(3,4)5)9-11-8-14-7-10(11)2;2*1-2/h10-11,14H,6-9H2,1-5H3;2*1-2H3
InChIKeyLHDSTAGHDNOUIO-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane?
The IUPAC name of tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane (CID 144770393) is tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane is CC.CC.CCN(CC1CNCC1C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane?
The InChIKey is LHDSTAGHDNOUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.2C2H6/c1-6-15(12(16)17-13(3,4)5)9-11-8-14-7-10(11)2;2*1-2/h10-11,14H,6-9H2,1-5H3;2*1-2H3.
What are the key properties of tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane?
tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane has a molecular weight of 302.50 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane is sourced from PubChem (CID 144770393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).