tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate

C14H24N4O2 — CID 170324871

IUPACtert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate
SMILESCN(C)CCN(C(=O)OC(C)(C)C)c1ccc(N)cn1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)18(9-8-17(4)5)12-7-6-11(15)10-16-12/h6-7,10H,8-9,15H2,1-5H3
InChIKeyRXBANHOWAXBMEM-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.97
Rot. Bonds4

About tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate

tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate (PubChem CID 170324871) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate
PubChem CID170324871
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate
SMILESCN(C)CCN(C(=O)OC(C)(C)C)c1ccc(N)cn1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)18(9-8-17(4)5)12-7-6-11(15)10-16-12/h6-7,10H,8-9,15H2,1-5H3
InChIKeyRXBANHOWAXBMEM-UHFFFAOYSA-N
XLogP1.97
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[6-(5-amino-2,3-dihydroindol-1-yl)pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]carbamate
CID 59276818
tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032
tert-butyl N-(5-acetyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)carbamate
CID 167248602
tert-butyl N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540827
tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate
CID 142449240
tert-butyl N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540843
N'-[(5-amino-2-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 71100273
tert-butyl N-[1-(4-amino-2-methoxyphenyl)-6-chloropyrazolo[4,3-c]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]carbamate
CID 165125866
tert-butyl N-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate
CID 75487100
tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate
CID 58230679
tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate
CID 10083475
tert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate
CID 67621078

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate (CID 170324871) is tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate is CN(C)CCN(C(=O)OC(C)(C)C)c1ccc(N)cn1.
What is the InChIKey of tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate?
The InChIKey is RXBANHOWAXBMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)18(9-8-17(4)5)12-7-6-11(15)10-16-12/h6-7,10H,8-9,15H2,1-5H3.
What are the key properties of tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate?
tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate is sourced from PubChem (CID 170324871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).