tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate

C17H27N3O2 — CID 103715526

IUPACtert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate
SMILESCc1ccncc1NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H27N3O2/c1-12-9-10-18-11-15(12)19-13-5-7-14(8-6-13)20-16(21)22-17(2,3)4/h9-11,13-14,19H,5-8H2,1-4H3,(H,20,21)
InChIKeyMLSOYYXQQUFZBS-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.64
Rot. Bonds3

About tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate (PubChem CID 103715526) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate
PubChem CID103715526
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate
SMILESCc1ccncc1NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H27N3O2/c1-12-9-10-18-11-15(12)19-13-5-7-14(8-6-13)20-16(21)22-17(2,3)4/h9-11,13-14,19H,5-8H2,1-4H3,(H,20,21)
InChIKeyMLSOYYXQQUFZBS-UHFFFAOYSA-N
XLogP3.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(2-bromo-3-methylanilino)cyclohexyl]carbamate
CID 103821402
tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
CID 90064993
tert-butyl N-[4-(3-bromo-2-methylanilino)cyclohexyl]carbamate
CID 107629945
tert-butyl N-[4-(2,5-dibromoanilino)cyclohexyl]carbamate
CID 103715445
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl N-[4-[(5-amino-2-chloro-4-pyridinyl)amino]cyclohexyl]carbamate
CID 163220169
ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329550
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
CID 143755854
tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate
CID 103715317
tert-butyl N-[4-(2-nitroanilino)cyclohexyl]carbamate
CID 59135470
tert-butyl N-[4-(3-chloro-2-fluoroanilino)cyclohexyl]carbamate
CID 103715400
tert-butyl N-[4-(4-methyl-2-nitroanilino)cyclohexyl]carbamate
CID 66877331

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate (CID 103715526) is tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate is Cc1ccncc1NC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate?
The InChIKey is MLSOYYXQQUFZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-9-10-18-11-15(12)19-13-5-7-14(8-6-13)20-16(21)22-17(2,3)4/h9-11,13-14,19H,5-8H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 103715526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).