tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate

C18H33N3O2 — CID 107238586

IUPACtert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(CC1CCCCN1)NC1C2CN(C(=O)OC(C)(C)C)CC21
InChIInChI=1S/C18H33N3O2/c1-12(9-13-7-5-6-8-19-13)20-16-14-10-21(11-15(14)16)17(22)23-18(2,3)4/h12-16,19-20H,5-11H2,1-4H3
InChIKeyBBJNGMZZKLUJNI-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.36
Rot. Bonds4

About tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 107238586) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID107238586
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Nametert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(CC1CCCCN1)NC1C2CN(C(=O)OC(C)(C)C)CC21
InChIInChI=1S/C18H33N3O2/c1-12(9-13-7-5-6-8-19-13)20-16-14-10-21(11-15(14)16)17(22)23-18(2,3)4/h12-16,19-20H,5-11H2,1-4H3
InChIKeyBBJNGMZZKLUJNI-UHFFFAOYSA-N
XLogP2.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate
CID 107241518
tert-butyl 4-(1-pyrrolidin-2-ylpropan-2-ylamino)azepane-1-carboxylate
CID 107255060
tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate
CID 107238327
tert-butyl 6-(3-methylpentan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238670
tert-butyl 6-(1,1-difluoropropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238572
tert-butyl 6-(1-phenylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238428
tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237914
tert-butyl (1S,5S)-6-(methylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 98125344
tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate
CID 107239334
tert-butyl (5aR,8aS)-2,3,4,5,5a,6,8,8a-octahydro-1H-pyrrolo[3,4-b]azepine-7-carboxylate
CID 82387774
tert-butyl 2,3,4,5,5a,6,8,8a-octahydro-1H-pyrrolo[3,4-b]azepine-7-carboxylate
CID 130003318
tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238693

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 107238586) is tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(CC1CCCCN1)NC1C2CN(C(=O)OC(C)(C)C)CC21.
What is the InChIKey of tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is BBJNGMZZKLUJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-12(9-13-7-5-6-8-19-13)20-16-14-10-21(11-15(14)16)17(22)23-18(2,3)4/h12-16,19-20H,5-11H2,1-4H3.
What are the key properties of tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 323.48 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 107238586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).