tert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate

C16H24N2O2 — CID 133422853

IUPACtert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)12-7-9-13(10-8-12)18-14-6-4-5-11-17-14/h4-6,11-13H,7-10H2,1-3H3,(H,17,18)
InChIKeyWDSSKAPJNVQQHQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.39
Rot. Bonds3

About tert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate

tert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate (PubChem CID 133422853) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate
PubChem CID133422853
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)12-7-9-13(10-8-12)18-14-6-4-5-11-17-14/h4-6,11-13H,7-10H2,1-3H3,(H,17,18)
InChIKeyWDSSKAPJNVQQHQ-UHFFFAOYSA-N
XLogP3.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-[(6-amino-3-pyridinyl)methyl]-3-propanoylselanylpropanoate
CID 66563231
Ethyl 2-cyclohexyl-2-[(pyridin-2-YL)carbamoyl]acetate
CID 2899706
2-[3-(Pyridin-2-ylamino)phenyl]acetic acid
CID 13054270
2-[3-(Pyridin-2-ylamino)phenyl]propanoic acid
CID 13054271
5-[(5-Methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid
CID 2812795
2-[3-Oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid
CID 3824656
(2S)-3-phenyl-2-(pyridin-2-ylamino)propanoic acid
CID 69614183
5-Oxo-2-propyl-5-[(pyridin-2-yl)amino]pentanoic acid
CID 2189151
Tert-butyl 4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]cyclohexane-1-carboxylate
CID 75510860
4-[(5-Piperidin-1-yl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 122030522
tert-butyl N-[1-[(5-fluoro-2-pyridinyl)amino]-3-(oxan-4-yl)-1-oxopropan-2-yl]carbamate
CID 57657333
tert-butyl 2-[(1R,5S)-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]acetate
CID 58146702

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate (CID 133422853) is tert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate is CC(C)(C)OC(=O)C1CCC(Nc2ccccn2)CC1.
What is the InChIKey of tert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate?
The InChIKey is WDSSKAPJNVQQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)12-7-9-13(10-8-12)18-14-6-4-5-11-17-14/h4-6,11-13H,7-10H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate?
tert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(pyridin-2-ylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 133422853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).