tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate

C17H30N2O3 — CID 107249604

IUPACtert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1CNC(C1CC1)C1CC1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19-8-9-21-11-14(19)10-18-15(12-4-5-12)13-6-7-13/h12-15,18H,4-11H2,1-3H3
InChIKeyLNVHKQZPLMMERK-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.40
Rot. Bonds5

About tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate

tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate (PubChem CID 107249604) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
PubChem CID107249604
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1CNC(C1CC1)C1CC1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19-8-9-21-11-14(19)10-18-15(12-4-5-12)13-6-7-13/h12-15,18H,4-11H2,1-3H3
InChIKeyLNVHKQZPLMMERK-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107249666
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
tert-butyl 3-[2-[(2-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855310
2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid
CID 104855281
tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107249543
tert-butyl 3-[(thian-3-ylamino)methyl]morpholine-4-carboxylate
CID 107249529
tert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107249542
tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate
CID 134168093
tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate
CID 135183986
tert-butyl 3-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855368

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate (CID 107249604) is tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1CNC(C1CC1)C1CC1.
What is the InChIKey of tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate?
The InChIKey is LNVHKQZPLMMERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19-8-9-21-11-14(19)10-18-15(12-4-5-12)13-6-7-13/h12-15,18H,4-11H2,1-3H3.
What are the key properties of tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate?
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 107249604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).