tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate

C17H27N3O2 — CID 174727068

IUPACtert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate
SMILESCC1CCCC(NC(=O)OC(C)(C)C)(c2ccncc2N)C1
InChIInChI=1S/C17H27N3O2/c1-12-6-5-8-17(10-12,13-7-9-19-11-14(13)18)20-15(21)22-16(2,3)4/h7,9,11-12H,5-6,8,10,18H2,1-4H3,(H,20,21)
InChIKeySIROXZMYSSJHEO-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.59
Rot. Bonds2

About tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate

tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate (PubChem CID 174727068) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate
PubChem CID174727068
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate
SMILESCC1CCCC(NC(=O)OC(C)(C)C)(c2ccncc2N)C1
InChIInChI=1S/C17H27N3O2/c1-12-6-5-8-17(10-12,13-7-9-19-11-14(13)18)20-15(21)22-16(2,3)4/h7,9,11-12H,5-6,8,10,18H2,1-4H3,(H,20,21)
InChIKeySIROXZMYSSJHEO-UHFFFAOYSA-N
XLogP3.59
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate
CID 129242449
tert-butyl N-[1-(bromomethyl)-3-methylcyclohexyl]carbamate
CID 114314705
tert-butyl N-[1-(3-amino-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 58386783
tert-butyl N-[1-(3-amino-4-pyridinyl)-6-methylpiperidin-3-yl]carbamate
CID 71007348
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
CID 143755854
tert-butyl N-[3-(1-chlorocyclopropyl)-4-pyridinyl]carbamate
CID 171497546
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
CID 22981091
tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate
CID 90810829
tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate
CID 77419826
tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate
CID 123505509

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate (CID 174727068) is tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate is CC1CCCC(NC(=O)OC(C)(C)C)(c2ccncc2N)C1.
What is the InChIKey of tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate?
The InChIKey is SIROXZMYSSJHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-6-5-8-17(10-12,13-7-9-19-11-14(13)18)20-15(21)22-16(2,3)4/h7,9,11-12H,5-6,8,10,18H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate?
tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate is sourced from PubChem (CID 174727068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).