tert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine

C17H36N4O2 — CID 68846094

IUPACtert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine
SMILESCCN1CCC(N)C1.CC[C@@]1(NC(=O)OC(C)(C)C)CCNC1
InChIInChI=1S/C11H22N2O2.C6H14N2/c1-5-11(6-7-12-8-11)13-9(14)15-10(2,3)4;1-2-8-4-3-6(7)5-8/h12H,5-8H2,1-4H3,(H,13,14);6H,2-5,7H2,1H3/t11-;/m1./s1
InChIKeyIRLOBBWJBGKTIN-RFVHGSKJSA-N
MW328.50 g/mol
LogP1.69
Rot. Bonds3

About tert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine

tert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine (PubChem CID 68846094) has the molecular formula C17H36N4O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine
PubChem CID68846094
Molecular FormulaC17H36N4O2
Molecular Weight328.50 g/mol
Exact Mass328.28
IUPAC Nametert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine
SMILESCCN1CCC(N)C1.CC[C@@]1(NC(=O)OC(C)(C)C)CCNC1
InChIInChI=1S/C11H22N2O2.C6H14N2/c1-5-11(6-7-12-8-11)13-9(14)15-10(2,3)4;1-2-8-4-3-6(7)5-8/h12H,5-8H2,1-4H3,(H,13,14);6H,2-5,7H2,1H3/t11-;/m1./s1
InChIKeyIRLOBBWJBGKTIN-RFVHGSKJSA-N
XLogP1.69
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(3-ethylpiperidin-3-yl)carbamate
CID 84726051
tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate
CID 170207829
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate
CID 167738112
tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate
CID 135177659
[(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate
CID 175395420
tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate
CID 135392464
tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
CID 134505512
tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate
CID 163598216
10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid
CID 151766900
tert-butyl N-[(3S)-3-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 92825862

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine?
The IUPAC name of tert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine (CID 68846094) is tert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine.
What is the SMILES notation for tert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine?
The canonical SMILES for tert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine is CCN1CCC(N)C1.CC[C@@]1(NC(=O)OC(C)(C)C)CCNC1.
What is the InChIKey of tert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine?
The InChIKey is IRLOBBWJBGKTIN-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H22N2O2.C6H14N2/c1-5-11(6-7-12-8-11)13-9(14)15-10(2,3)4;1-2-8-4-3-6(7)5-8/h12H,5-8H2,1-4H3,(H,13,14);6H,2-5,7H2,1H3/t11-;/m1./s1.
What are the key properties of tert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine?
tert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine has a molecular weight of 328.50 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine is sourced from PubChem (CID 68846094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).