tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate

C17H36N4O2 — CID 102730052

IUPACtert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate
SMILESCCN(CC)C1CCN(C(CN)CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H36N4O2/c1-6-20(7-2)15-9-11-21(13-15)14(12-18)8-10-19-16(22)23-17(3,4)5/h14-15H,6-13,18H2,1-5H3,(H,19,22)
InChIKeyJGKAMZVFVIIVJO-UHFFFAOYSA-N
MW328.50 g/mol
LogP1.64
Rot. Bonds8

About tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate

tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate (PubChem CID 102730052) has the molecular formula C17H36N4O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate
PubChem CID102730052
Molecular FormulaC17H36N4O2
Molecular Weight328.50 g/mol
Exact Mass328.28
IUPAC Nametert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate
SMILESCCN(CC)C1CCN(C(CN)CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H36N4O2/c1-6-20(7-2)15-9-11-21(13-15)14(12-18)8-10-19-16(22)23-17(3,4)5/h14-15H,6-13,18H2,1-5H3,(H,19,22)
InChIKeyJGKAMZVFVIIVJO-UHFFFAOYSA-N
XLogP1.64
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butyl]carbamate
CID 102730293
tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate
CID 102729464
tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate
CID 102729770
tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate
CID 102730438
tert-butyl N-[4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butyl]carbamate
CID 102730006
tert-butyl N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-aminobutyl]carbamate
CID 102730168
tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate
CID 102730533
tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate
CID 102729629
tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate
CID 102730289
tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate
CID 102730201
tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate
CID 102729991
tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate
CID 107397726

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate (CID 102730052) is tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate is CCN(CC)C1CCN(C(CN)CCNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate?
The InChIKey is JGKAMZVFVIIVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O2/c1-6-20(7-2)15-9-11-21(13-15)14(12-18)8-10-19-16(22)23-17(3,4)5/h14-15H,6-13,18H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate?
tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate has a molecular weight of 328.50 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate is sourced from PubChem (CID 102730052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).