tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate

C18H37N3O2 — CID 112722256

IUPACtert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
SMILESCCN(CCN1CCC(CNCC(C)C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H37N3O2/c1-7-21(17(22)23-18(4,5)6)11-10-20-9-8-16(14-20)13-19-12-15(2)3/h15-16,19H,7-14H2,1-6H3
InChIKeyJSZUECCJNBPQGL-UHFFFAOYSA-N
MW327.51 g/mol
LogP2.81
Rot. Bonds8

About tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate

tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate (PubChem CID 112722256) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
PubChem CID112722256
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Nametert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
SMILESCCN(CCN1CCC(CNCC(C)C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H37N3O2/c1-7-21(17(22)23-18(4,5)6)11-10-20-9-8-16(14-20)13-19-12-15(2)3/h15-16,19H,7-14H2,1-6H3
InChIKeyJSZUECCJNBPQGL-UHFFFAOYSA-N
XLogP2.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[3-(butylaminomethyl)pyrrolidin-1-yl]ethyl]-N-ethylcarbamate
CID 112722255
tert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
CID 112722281
tert-butyl N-butyl-N-[2-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
CID 112722279
tert-butyl N-cyclopropyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
CID 112722275
2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081254
N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 55081442
tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate
CID 107245361
tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 63829128
tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245368
tert-butyl N-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553536
tert-butyl N-[[1-[2-(propylamino)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 83963319

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate (CID 112722256) is tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate is CCN(CCN1CCC(CNCC(C)C)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate?
The InChIKey is JSZUECCJNBPQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-7-21(17(22)23-18(4,5)6)11-10-20-9-8-16(14-20)13-19-12-15(2)3/h15-16,19H,7-14H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate?
tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate has a molecular weight of 327.51 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 112722256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).