tert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate

C16H25N3O2 — CID 67255350

IUPACtert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(CN)C=C1C1=CCNCC1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-9-6-12(11-17)10-14(19)13-4-7-18-8-5-13/h4,6,10,18H,5,7-9,11,17H2,1-3H3
InChIKeyYBJUKRUFMAOUKK-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.93
Rot. Bonds2

About tert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate

tert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate (PubChem CID 67255350) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
PubChem CID67255350
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(CN)C=C1C1=CCNCC1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-9-6-12(11-17)10-14(19)13-4-7-18-8-5-13/h4,6,10,18H,5,7-9,11,17H2,1-3H3
InChIKeyYBJUKRUFMAOUKK-UHFFFAOYSA-N
XLogP1.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(tert-butoxycarbonyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 67318521
tert-butyl N-[2-[butyl-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]carbamate
CID 123416566
tert-butyl N-[2-[(4-amino-2-fluorocyclohexa-1,3-dien-1-yl)-methylamino]ethyl]-N-methylcarbamate
CID 153631284
tert-butyl N-[5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridin-3-yl]carbamate
CID 155657596
tert-butyl 3-amino-5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 169772212
Tert-butyl 3-[2-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-2,5-dihydropyrrole-1-carboxylate
CID 171753260
tert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 172144197
tert-butyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 11346130
tert-butyl 6-[(E)-hex-3-en-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 101060734
tert-butyl 3-[(E)-2-(azetidin-2-yl)ethenyl]-2H-pyridine-1-carboxylate
CID 21964020
tert-butyl 3-amino-6-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 45789848
Tert-butyl 2-(2-aminoethylidene)piperidine-1-carboxylate
CID 54132732

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate (CID 67255350) is tert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(CN)C=C1C1=CCNCC1.
What is the InChIKey of tert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The InChIKey is YBJUKRUFMAOUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-9-6-12(11-17)10-14(19)13-4-7-18-8-5-13/h4,6,10,18H,5,7-9,11,17H2,1-3H3.
What are the key properties of tert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
tert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate has a molecular weight of 291.40 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 67255350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).