tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate

C17H32N2O3 — CID 104871875

IUPACtert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate
SMILESCC(CC1COCCN1C(=O)OC(C)(C)C)NCC1(C)CC1
InChIInChI=1S/C17H32N2O3/c1-13(18-12-17(5)6-7-17)10-14-11-21-9-8-19(14)15(20)22-16(2,3)4/h13-14,18H,6-12H2,1-5H3
InChIKeyBLIHLHFSQIYUBD-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.79
Rot. Bonds5

About tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate

tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate (PubChem CID 104871875) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate
PubChem CID104871875
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate
SMILESCC(CC1COCCN1C(=O)OC(C)(C)C)NCC1(C)CC1
InChIInChI=1S/C17H32N2O3/c1-13(18-12-17(5)6-7-17)10-14-11-21-9-8-19(14)15(20)22-16(2,3)4/h13-14,18H,6-12H2,1-5H3
InChIKeyBLIHLHFSQIYUBD-UHFFFAOYSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate (CID 104871875) is tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate is CC(CC1COCCN1C(=O)OC(C)(C)C)NCC1(C)CC1.
What is the InChIKey of tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate?
The InChIKey is BLIHLHFSQIYUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-13(18-12-17(5)6-7-17)10-14-11-21-9-8-19(14)15(20)22-16(2,3)4/h13-14,18H,6-12H2,1-5H3.
What are the key properties of tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate?
tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate is sourced from PubChem (CID 104871875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).