tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate

C18H35N3O2 — CID 103724497

IUPACtert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1CCCCC1NCCN
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)21-13-7-6-10-16(21)14-8-4-5-9-15(14)20-12-11-19/h14-16,20H,4-13,19H2,1-3H3
InChIKeyKICIJHRFUJUILP-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.88
Rot. Bonds4

About tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate

tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate (PubChem CID 103724497) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate
PubChem CID103724497
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1CCCCC1NCCN
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)21-13-7-6-10-16(21)14-8-4-5-9-15(14)20-12-11-19/h14-16,20H,4-13,19H2,1-3H3
InChIKeyKICIJHRFUJUILP-UHFFFAOYSA-N
XLogP2.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate
CID 103724491
tert-butyl 2-[2-(ethylamino)cyclohexyl]piperidine-1-carboxylate
CID 103724492
tert-butyl 2-[2-(ethylamino)cyclopentyl]piperidine-1-carboxylate
CID 79537863
tert-butyl 2-[2-(2-methylprop-2-enylamino)cyclohexyl]pyrrolidine-1-carboxylate
CID 104940083
tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate
CID 113248728
tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate
CID 113248734
tert-butyl (2S)-2-[(1R,2S)-2-aminocyclohexyl]pyrrolidine-1-carboxylate
CID 97159702
tert-butyl 2-[2-(2,2,2-trifluoroethoxyamino)cyclopentyl]pyrrolidine-1-carboxylate
CID 113341796
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl (2S)-2-[(1R,2R)-2-[(2-methoxy-3-pyridinyl)methylamino]cyclopentyl]pyrrolidine-1-carboxylate
CID 98848572
tert-butyl 2-cyclohexylpiperidine-1-carboxylate
CID 164666573

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate (CID 103724497) is tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C1CCCCC1NCCN.
What is the InChIKey of tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate?
The InChIKey is KICIJHRFUJUILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)21-13-7-6-10-16(21)14-8-4-5-9-15(14)20-12-11-19/h14-16,20H,4-13,19H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate?
tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate has a molecular weight of 325.50 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate is sourced from PubChem (CID 103724497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).