tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate

C17H31N3O2 — CID 107246328

IUPACtert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNC1CCN2CCCC12)C1CC1
InChIInChI=1S/C17H31N3O2/c1-17(2,3)22-16(21)20(13-6-7-13)12-9-18-14-8-11-19-10-4-5-15(14)19/h13-15,18H,4-12H2,1-3H3
InChIKeyTVPKQRQIMGZOGL-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.21
Rot. Bonds5

About tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate

tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate (PubChem CID 107246328) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate
PubChem CID107246328
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Nametert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNC1CCN2CCCC12)C1CC1
InChIInChI=1S/C17H31N3O2/c1-17(2,3)22-16(21)20(13-6-7-13)12-9-18-14-8-11-19-10-4-5-15(14)19/h13-15,18H,4-12H2,1-3H3
InChIKeyTVPKQRQIMGZOGL-UHFFFAOYSA-N
XLogP2.21
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)propyl]-N-methylcarbamate
CID 107242029
tert-butyl N-cyclopropyl-N-[2-[(2-methylthian-3-yl)amino]ethyl]carbamate
CID 107246381
tert-butyl N-cyclopropyl-N-[2-[(2-methylthiolan-3-yl)amino]ethyl]carbamate
CID 102672001
N'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine
CID 107962477
tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate
CID 103780871
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
tert-butyl N-cyclopropyl-N-[2-[(3-methoxycyclobutyl)amino]ethyl]carbamate
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tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate
CID 103894802
tert-butyl N-cyclopropyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]carbamate
CID 111145282
tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate
CID 103780903
methyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67008317
tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate
CID 103880529

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate (CID 107246328) is tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)N(CCNC1CCN2CCCC12)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate?
The InChIKey is TVPKQRQIMGZOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-17(2,3)22-16(21)20(13-6-7-13)12-9-18-14-8-11-19-10-4-5-15(14)19/h13-15,18H,4-12H2,1-3H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate?
tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate has a molecular weight of 309.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate is sourced from PubChem (CID 107246328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).