tert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate

C17H34N2O3 — CID 103554338

IUPACtert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate
SMILESCCCCCCCC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-5-6-7-8-9-10-14(18)15-13-21-12-11-19(15)16(20)22-17(2,3)4/h14-15H,5-13,18H2,1-4H3
InChIKeyBJSWESHKYQEMPF-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.31
Rot. Bonds7

About tert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate

tert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate (PubChem CID 103554338) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate
PubChem CID103554338
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate
SMILESCCCCCCCC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-5-6-7-8-9-10-14(18)15-13-21-12-11-19(15)16(20)22-17(2,3)4/h14-15H,5-13,18H2,1-4H3
InChIKeyBJSWESHKYQEMPF-UHFFFAOYSA-N
XLogP3.31
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S,3S)-3-(methoxymethoxy)-1-(4-methylpiperazin-1-yl)heptadecan-2-yl]carbamate
CID 162643623
tert-butyl N-[(2S,3S)-3-(methoxymethoxy)-1-piperidin-1-ylheptadecan-2-yl]carbamate
CID 162670011
Tert-butyl 2-(morpholin-3-yl)pyrrolidine-1-carboxylate
CID 82665351
tert-butyl N-[2-amino-1-(oxan-2-yl)ethyl]carbamate
CID 165669952
Tert-butyl 3-(1-amino-4,4,4-trifluorobutyl)morpholine-4-carboxylate
CID 103554374
Tert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate
CID 103554402
Octadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate
CID 18789470
tert-butyl (2R,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylate
CID 58376509
tert-butyl (2S,5R)-2-(2-methoxyethyl)-5-(propan-2-ylamino)piperidine-1-carboxylate
CID 91349743
tert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate
CID 143744838
tert-butyl (3R,5S)-3-amino-5-(3-tert-butyl-2-methyldecan-2-yl)oxypiperidine-1-carboxylate
CID 149962303
tert-butyl (2R)-2-(5-aminopentyl)morpholine-4-carboxylate
CID 153602033

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate (CID 103554338) is tert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate is CCCCCCCC(N)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate?
The InChIKey is BJSWESHKYQEMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-5-6-7-8-9-10-14(18)15-13-21-12-11-19(15)16(20)22-17(2,3)4/h14-15H,5-13,18H2,1-4H3.
What are the key properties of tert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate?
tert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate has a molecular weight of 314.47 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate is sourced from PubChem (CID 103554338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).