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

C16H25N3O2 — CID 67257201

IUPACtert-butyl 2-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(C2=CCNCC2)=CC=CC1CN
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-13(11-17)5-4-6-14(19)12-7-9-18-10-8-12/h4-7,13,18H,8-11,17H2,1-3H3
InChIKeyWSKSIELMBFWNSE-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.92
Rot. Bonds2

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

tert-butyl 2-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate (PubChem CID 67257201) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
PubChem CID67257201
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 2-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(C2=CCNCC2)=CC=CC1CN
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-13(11-17)5-4-6-14(19)12-7-9-18-10-8-12/h4-7,13,18H,8-11,17H2,1-3H3
InChIKeyWSKSIELMBFWNSE-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[butyl-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]carbamate
CID 123416566
tert-butyl (3R)-3-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazine-1-carboxylate
CID 130308313
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 (3R)-3-[(2Z,4E)-4-fluorohepta-2,4-dienyl]piperazine-1-carboxylate
CID 164068186
tert-butyl (3R)-3-[(3E,5Z)-4-fluorohepta-1,3,5-trien-2-yl]piperazine-1-carboxylate
CID 166965590
tert-butyl 3-amino-5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 169772212
tert-butyl N-[(3S)-1-[6-amino-2-fluoro-5-(oxomethylidene)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-yl]carbamate
CID 174428805
tert-butyl N-[(3R)-1-[6-amino-2-fluoro-5-(oxomethylidene)cyclohexa-1,3-dien-1-yl]pyrrolidin-3-yl]carbamate
CID 174442889
tert-butyl N-[(2R)-1-[[(Z)-1-(cyclopropen-1-yl)-4-fluoro-2-methyl-3-methylidenepent-1-enyl]amino]propan-2-yl]carbamate
CID 168185684
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate (CID 67257201) is tert-butyl 2-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1C(C2=CCNCC2)=CC=CC1CN.
What is the InChIKey of tert-butyl 2-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The InChIKey is WSKSIELMBFWNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-13(11-17)5-4-6-14(19)12-7-9-18-10-8-12/h4-7,13,18H,8-11,17H2,1-3H3.
What are the key properties of tert-butyl 2-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
tert-butyl 2-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate has a molecular weight of 291.40 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 67257201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).