tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate

C18H29N3O2 — CID 107243151

IUPACtert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
SMILESCC1(C)CCC(Nc2ccc(NC(=O)OC(C)(C)C)nc2)CC1
InChIInChI=1S/C18H29N3O2/c1-17(2,3)23-16(22)21-15-7-6-14(12-19-15)20-13-8-10-18(4,5)11-9-13/h6-7,12-13,20H,8-11H2,1-5H3,(H,19,21,22)
InChIKeyNZNIWSUDBRWAQW-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.81
Rot. Bonds3

About tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate

tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate (PubChem CID 107243151) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
PubChem CID107243151
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
SMILESCC1(C)CCC(Nc2ccc(NC(=O)OC(C)(C)C)nc2)CC1
InChIInChI=1S/C18H29N3O2/c1-17(2,3)23-16(22)21-15-7-6-14(12-19-15)20-13-8-10-18(4,5)11-9-13/h6-7,12-13,20H,8-11H2,1-5H3,(H,19,21,22)
InChIKeyNZNIWSUDBRWAQW-UHFFFAOYSA-N
XLogP4.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate
CID 86775642
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
tert-butyl N-[5-[(1-methylpiperidin-3-yl)amino]-2-pyridinyl]carbamate
CID 107243155
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495
tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107239837
tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate
CID 103933766
tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243179
tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate
CID 107239831
tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate
CID 114238920
tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097
tert-butyl N-[5-(piperidin-3-ylmethylamino)-2-pyridinyl]carbamate
CID 107243062
tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate
CID 113354957

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate (CID 107243151) is tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate is CC1(C)CCC(Nc2ccc(NC(=O)OC(C)(C)C)nc2)CC1.
What is the InChIKey of tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate?
The InChIKey is NZNIWSUDBRWAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-17(2,3)23-16(22)21-15-7-6-14(12-19-15)20-13-8-10-18(4,5)11-9-13/h6-7,12-13,20H,8-11H2,1-5H3,(H,19,21,22).
What are the key properties of tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate?
tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate has a molecular weight of 319.45 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate is sourced from PubChem (CID 107243151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).