tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate

C18H36N2O3 — CID 104855288

IUPACtert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate
SMILESCCCC(CC)NC(C)CC1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O3/c1-7-9-15(8-2)19-14(3)12-16-13-22-11-10-20(16)17(21)23-18(4,5)6/h14-16,19H,7-13H2,1-6H3
InChIKeySEMRDVVIRDXRGN-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.57
Rot. Bonds7

About tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate

tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate (PubChem CID 104855288) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate
PubChem CID104855288
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate
SMILESCCCC(CC)NC(C)CC1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O3/c1-7-9-15(8-2)19-14(3)12-16-13-22-11-10-20(16)17(21)23-18(4,5)6/h14-16,19H,7-13H2,1-6H3
InChIKeySEMRDVVIRDXRGN-UHFFFAOYSA-N
XLogP3.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate
CID 104864436
2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid
CID 104855281
tert-butyl 3-[2-[(2-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855310
tert-butyl 3-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855368
tert-butyl 3-[2-[(3-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855309
tert-butyl 3-[2-[(3-methylcyclopentyl)amino]propyl]morpholine-4-carboxylate
CID 104937556
tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate
CID 104871875
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate
CID 113479100
tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate
CID 104855381
tert-butyl 3-[2-[(3-methyloxetan-3-yl)methylamino]propyl]morpholine-4-carboxylate
CID 104855325
tert-butyl 3-[2-[3-(dimethylamino)propylamino]propyl]morpholine-4-carboxylate
CID 104855230

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate (CID 104855288) is tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate is CCCC(CC)NC(C)CC1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate?
The InChIKey is SEMRDVVIRDXRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-7-9-15(8-2)19-14(3)12-16-13-22-11-10-20(16)17(21)23-18(4,5)6/h14-16,19H,7-13H2,1-6H3.
What are the key properties of tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate?
tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate has a molecular weight of 328.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate is sourced from PubChem (CID 104855288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).