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

C15H30N2O3 — CID 103554473

IUPACtert-butyl 3-(1-aminohexyl)morpholine-4-carboxylate
SMILESCCCCCC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-5-6-7-8-12(16)13-11-19-10-9-17(13)14(18)20-15(2,3)4/h12-13H,5-11,16H2,1-4H3
InChIKeyFOTASDHYZCKBHE-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.53
Rot. Bonds5

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

tert-butyl 3-(1-aminohexyl)morpholine-4-carboxylate (PubChem CID 103554473) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl 3-(1-aminohexyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-aminohexyl)morpholine-4-carboxylate
PubChem CID103554473
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl 3-(1-aminohexyl)morpholine-4-carboxylate
SMILESCCCCCC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-5-6-7-8-12(16)13-11-19-10-9-17(13)14(18)20-15(2,3)4/h12-13H,5-11,16H2,1-4H3
InChIKeyFOTASDHYZCKBHE-UHFFFAOYSA-N
XLogP2.53
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.53
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 (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate
CID 129222368
tert-Butyl (3R,5R)-3-amino-5-methoxypiperidine-1-carboxylate
CID 129222573
tert-butyl (3S,5R)-3-amino-5-methoxypiperidine-1-carboxylate
CID 135396356
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
1-Piperidinecarboxylic acid, 3-amino-5-methoxy-, 1,1-dimethylethyl ester, (3S,5S)-
CID 145708033
tert-butyl N-[2-amino-1-(oxan-2-yl)ethyl]carbamate
CID 165669952
Tert-butyl 7-(aminomethyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate hydrochloride
CID 177799616
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
Tert-butyl 3-(1-amino-4,4-difluorocyclohexyl)morpholine-4-carboxylate
CID 165685243

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-aminohexyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(1-aminohexyl)morpholine-4-carboxylate (CID 103554473) is tert-butyl 3-(1-aminohexyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-aminohexyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(1-aminohexyl)morpholine-4-carboxylate is CCCCCC(N)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(1-aminohexyl)morpholine-4-carboxylate?
The InChIKey is FOTASDHYZCKBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-6-7-8-12(16)13-11-19-10-9-17(13)14(18)20-15(2,3)4/h12-13H,5-11,16H2,1-4H3.
What are the key properties of tert-butyl 3-(1-aminohexyl)morpholine-4-carboxylate?
tert-butyl 3-(1-aminohexyl)morpholine-4-carboxylate has a molecular weight of 286.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-aminohexyl)morpholine-4-carboxylate is sourced from PubChem (CID 103554473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).