tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine

C14H28N2O3 — CID 143233414

IUPACtert-butyl pyrrolidine-1-carboxylate;oxan-4-amine
SMILESCC(C)(C)OC(=O)N1CCCC1.NC1CCOCC1
InChIInChI=1S/C9H17NO2.C5H11NO/c1-9(2,3)12-8(11)10-6-4-5-7-10;6-5-1-3-7-4-2-5/h4-7H2,1-3H3;5H,1-4,6H2
InChIKeyHYUJTMWZNVLWSB-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.14
Rot. Bonds

About tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine

tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine (PubChem CID 143233414) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine.

Molecular Properties

Compound Nametert-butyl pyrrolidine-1-carboxylate;oxan-4-amine
PubChem CID143233414
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl pyrrolidine-1-carboxylate;oxan-4-amine
SMILESCC(C)(C)OC(=O)N1CCCC1.NC1CCOCC1
InChIInChI=1S/C9H17NO2.C5H11NO/c1-9(2,3)12-8(11)10-6-4-5-7-10;6-5-1-3-7-4-2-5/h4-7H2,1-3H3;5H,1-4,6H2
InChIKeyHYUJTMWZNVLWSB-UHFFFAOYSA-N
XLogP2.14
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylate;ethane
CID 143680712
tert-butyl 4-[2-(oxan-4-yl)acetyl]-1,4-diazepane-1-carboxylate
CID 59143377
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 4-[(4-aminocyclohexyl)amino]azepane-1-carboxylate
CID 103982002
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 50986434
tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate
CID 53256460
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl 5-(1-aminoethyl)azocane-1-carboxylate
CID 166746033
tert-butyl (3S)-3-(oxan-4-ylmethylamino)piperidine-1-carboxylate
CID 84592299

Frequently Asked Questions

What is the IUPAC name of tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine?
The IUPAC name of tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine (CID 143233414) is tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine.
What is the SMILES notation for tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine?
The canonical SMILES for tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine is CC(C)(C)OC(=O)N1CCCC1.NC1CCOCC1.
What is the InChIKey of tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine?
The InChIKey is HYUJTMWZNVLWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C5H11NO/c1-9(2,3)12-8(11)10-6-4-5-7-10;6-5-1-3-7-4-2-5/h4-7H2,1-3H3;5H,1-4,6H2.
What are the key properties of tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine?
tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine has a molecular weight of 272.39 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine is sourced from PubChem (CID 143233414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).