tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate

C18H29N3O2 — CID 68885257

IUPACtert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCCc2ccccn2)CC1
InChIInChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)21-16-9-7-15(8-10-16)20-13-11-14-6-4-5-12-19-14/h4-6,12,15-16,20H,7-11,13H2,1-3H3,(H,21,22)
InChIKeyZHKGGLHCCWIJJF-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.05
Rot. Bonds5

About tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate

tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate (PubChem CID 68885257) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
PubChem CID68885257
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCCc2ccccn2)CC1
InChIInChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)21-16-9-7-15(8-10-16)20-13-11-14-6-4-5-12-19-14/h4-6,12,15-16,20H,7-11,13H2,1-3H3,(H,21,22)
InChIKeyZHKGGLHCCWIJJF-UHFFFAOYSA-N
XLogP3.05
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 103719994
tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343
tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate
CID 103715474
tert-butyl N-[4-[(3-methyl-2-pyridinyl)methylamino]cyclohexyl]carbamate
CID 58997040
tert-butyl N-[(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexyl]carbamate
CID 68899041
tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine
CID 79724278
tert-butyl N-[1-[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111729108
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
benzyl N-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]ethyl]carbamate
CID 177028190
tert-butyl N-piperidin-4-ylcarbamate;pyridin-2-amine
CID 174858928
tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate (CID 68885257) is tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCCc2ccccn2)CC1.
What is the InChIKey of tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate?
The InChIKey is ZHKGGLHCCWIJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)21-16-9-7-15(8-10-16)20-13-11-14-6-4-5-12-19-14/h4-6,12,15-16,20H,7-11,13H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate has a molecular weight of 319.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate is sourced from PubChem (CID 68885257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).