tert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate

C15H26N2O2 — CID 141111780

IUPACtert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(NCC2CC23CCNC3)CC1
InChIInChI=1S/C15H26N2O2/c1-13(2,3)19-12(18)15(4-5-15)17-9-11-8-14(11)6-7-16-10-14/h11,16-17H,4-10H2,1-3H3
InChIKeyULGQKKWURRQRDK-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.45
Rot. Bonds4

About tert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate

tert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate (PubChem CID 141111780) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate
PubChem CID141111780
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(NCC2CC23CCNC3)CC1
InChIInChI=1S/C15H26N2O2/c1-13(2,3)19-12(18)15(4-5-15)17-9-11-8-14(11)6-7-16-10-14/h11,16-17H,4-10H2,1-3H3
InChIKeyULGQKKWURRQRDK-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate
CID 93046626
tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate
CID 97294998
tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate
CID 52987650
tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate
CID 115051625
tert-butyl 3-propylpyrrolidine-3-carboxylate
CID 63144849
tert-butyl N-(8-azaspiro[4.5]decan-10-yl)carbamate
CID 83680565
tert-butyl N-[(4R)-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 155904737
2-(5-azaspiro[2.4]heptan-2-yl)-N-methylethanamine
CID 84650037
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride
CID 138040815
tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate
CID 97299724
bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate
CID 162368130

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate (CID 141111780) is tert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1(NCC2CC23CCNC3)CC1.
What is the InChIKey of tert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate?
The InChIKey is ULGQKKWURRQRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-13(2,3)19-12(18)15(4-5-15)17-9-11-8-14(11)6-7-16-10-14/h11,16-17H,4-10H2,1-3H3.
What are the key properties of tert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate?
tert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate is sourced from PubChem (CID 141111780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).