tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate

C17H32N2O3 — CID 107249543

IUPACtert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate
SMILESCC1(C)CCC(NCC2COCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H32N2O3/c1-16(2,3)22-15(20)19-8-9-21-12-14(19)11-18-13-6-7-17(4,5)10-13/h13-14,18H,6-12H2,1-5H3
InChIKeyRDRWHOPLJVVBLF-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.79
Rot. Bonds3

About tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate

tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate (PubChem CID 107249543) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate
PubChem CID107249543
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate
SMILESCC1(C)CCC(NCC2COCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H32N2O3/c1-16(2,3)22-15(20)19-8-9-21-12-14(19)11-18-13-6-7-17(4,5)10-13/h13-14,18H,6-12H2,1-5H3
InChIKeyRDRWHOPLJVVBLF-UHFFFAOYSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[(3,3-dimethylcyclopentyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106639509
tert-butyl 2-[[(3,3-dimethylcyclopentyl)amino]methyl]piperidine-1-carboxylate
CID 106634503
tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107249666
tert-butyl 2-[[(3,3-dimethylcyclohexyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106639036
tert-butyl 3-[(thian-3-ylamino)methyl]morpholine-4-carboxylate
CID 107249529
tert-butyl 2-[[(4,4-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 106633982
tert-butyl 2-[[(4,4-dimethylcycloheptyl)amino]methyl]pyrrolidine-1-carboxylate
CID 107248940
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate
CID 103874776
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate (CID 107249543) is tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate is CC1(C)CCC(NCC2COCCN2C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate?
The InChIKey is RDRWHOPLJVVBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-16(2,3)22-15(20)19-8-9-21-12-14(19)11-18-13-6-7-17(4,5)10-13/h13-14,18H,6-12H2,1-5H3.
What are the key properties of tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate?
tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 107249543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).