tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate

C18H29N3O2 — CID 103719994

IUPACtert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NCCc2ccccn2)C1
InChIInChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)21-16-9-6-8-15(13-16)20-12-10-14-7-4-5-11-19-14/h4-5,7,11,15-16,20H,6,8-10,12-13H2,1-3H3,(H,21,22)
InChIKeyMLWASVXQDJLQHB-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.05
Rot. Bonds5

About tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate

tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate (PubChem CID 103719994) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
PubChem CID103719994
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NCCc2ccccn2)C1
InChIInChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)21-16-9-6-8-15(13-16)20-12-10-14-7-4-5-11-19-14/h4-5,7,11,15-16,20H,6,8-10,12-13H2,1-3H3,(H,21,22)
InChIKeyMLWASVXQDJLQHB-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-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 68885257
tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate
CID 103720087
3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid
CID 63043512
tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
CID 99620412
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
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
methyl 3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]propanoate
CID 79462183
tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate
CID 80562083
tert-butyl N-[3-(2-cyanoethylamino)cyclohexyl]carbamate
CID 79458920

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate (CID 103719994) is tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCC(NCCc2ccccn2)C1.
What is the InChIKey of tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate?
The InChIKey is MLWASVXQDJLQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)21-16-9-6-8-15(13-16)20-12-10-14-7-4-5-11-19-14/h4-5,7,11,15-16,20H,6,8-10,12-13H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate?
tert-butyl N-[3-(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-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate is sourced from PubChem (CID 103719994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).