tert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C16H28N2O3 — CID 104955693

IUPACtert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC1OCCC1NCC1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H28N2O3/c1-12-14(7-10-20-12)17-11-13-5-8-18(9-6-13)15(19)21-16(2,3)4/h5,12,14,17H,6-11H2,1-4H3
InChIKeyASFKGNYMSYDDQW-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.32
Rot. Bonds3

About tert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 104955693) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID104955693
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nametert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC1OCCC1NCC1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H28N2O3/c1-12-14(7-10-20-12)17-11-13-5-8-18(9-6-13)15(19)21-16(2,3)4/h5,12,14,17H,6-11H2,1-4H3
InChIKeyASFKGNYMSYDDQW-UHFFFAOYSA-N
XLogP2.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 2,2-dimethyl-3a,4,5,6,9,9a-hexahydro-[1,3]oxazolo[5,4-c]azocine-1-carboxylate
CID 57245530
tert-butyl (4S,5R)-4-[2-(4-aminocyclohexa-1,5-dien-1-yl)ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 69281624
tert-butyl (4R)-2,2-dimethyl-4-[(1R)-1-(prop-2-enylamino)but-3-enyl]-1,3-oxazolidine-3-carboxylate
CID 102325621
tert-butyl (4R)-2,2-dimethyl-4-[(1S)-1-(prop-2-enylamino)but-3-enyl]-1,3-oxazolidine-3-carboxylate
CID 102325622
Tert-butyl 3-[2-(cyclopent-3-en-1-ylamino)propyl]morpholine-4-carboxylate
CID 104863871
tert-butyl 4-[(4-methoxybutan-2-ylamino)methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 104952437
tert-butyl 4-[(1-methoxypropan-2-ylamino)methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 104952439
tert-butyl 4-[(oxolan-3-ylamino)methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 104954092
tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 104954102
tert-butyl 4-[[(2-methyloxan-4-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 104954145
tert-butyl 4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 104954172
tert-butyl 4-[(oxan-4-ylamino)methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 104954193

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 104955693) is tert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC1OCCC1NCC1=CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is ASFKGNYMSYDDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12-14(7-10-20-12)17-11-13-5-8-18(9-6-13)15(19)21-16(2,3)4/h5,12,14,17H,6-11H2,1-4H3.
What are the key properties of tert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2-methyloxolan-3-yl)amino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 104955693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).