tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate

C15H28N2O2 — CID 103948338

IUPACtert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate
SMILESCCC1CC1NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-5-11-9-13(11)16-12-7-6-8-17(10-12)14(18)19-15(2,3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyKTDGCYPTSOGHIW-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.77
Rot. Bonds3

About tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate

tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate (PubChem CID 103948338) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate
PubChem CID103948338
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate
SMILESCCC1CC1NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-5-11-9-13(11)16-12-7-6-8-17(10-12)14(18)19-15(2,3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyKTDGCYPTSOGHIW-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
tert-butyl 3-[(2-ethylcyclopentyl)amino]pyrrolidine-1-carboxylate
CID 103783533
tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
CID 103917519
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid
CID 107241554
tert-butyl 3-[(2-methylsulfanylcyclopentyl)amino]piperidine-1-carboxylate
CID 103948538
tert-butyl 3-[(3-methylcyclobutyl)amino]azepane-1-carboxylate
CID 104859796
tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate
CID 75994051
tert-butyl 3-[[2-(hydroxymethyl)cyclohexyl]amino]pyrrolidine-1-carboxylate
CID 84598727
tert-butyl (3S)-3-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrrolidine-1-carboxylate
CID 129432896
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-[(3-aminocyclobutyl)amino]azepane-1-carboxylate
CID 107249368
tert-butyl 3-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241492

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate (CID 103948338) is tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate is CCC1CC1NC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate?
The InChIKey is KTDGCYPTSOGHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-11-9-13(11)16-12-7-6-8-17(10-12)14(18)19-15(2,3)4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate?
tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 103948338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).