tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate

C15H31N3O3 — CID 114399643

IUPACtert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate
SMILESCCN1CCOC(CNCCCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H31N3O3/c1-5-18-9-10-20-13(12-18)11-16-7-6-8-17-14(19)21-15(2,3)4/h13,16H,5-12H2,1-4H3,(H,17,19)
InChIKeySBPIASDEPHPQAB-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.21
Rot. Bonds7

About tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate

tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate (PubChem CID 114399643) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate
PubChem CID114399643
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Nametert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate
SMILESCCN1CCOC(CNCCCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H31N3O3/c1-5-18-9-10-20-13(12-18)11-16-7-6-8-17-14(19)21-15(2,3)4/h13,16H,5-12H2,1-4H3,(H,17,19)
InChIKeySBPIASDEPHPQAB-UHFFFAOYSA-N
XLogP1.21
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate
CID 113235636
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033653
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
2-[(4-ethylmorpholin-2-yl)methylamino]ethyl carbamate
CID 83210717
3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide
CID 79165758
N-cyclopropyl-4-[(4-ethylmorpholin-2-yl)methylamino]butanamide
CID 79393887
2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78960685
N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine
CID 107845055
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338
2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 103710582
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate
CID 69195735

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate (CID 114399643) is tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate is CCN1CCOC(CNCCCNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate?
The InChIKey is SBPIASDEPHPQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-5-18-9-10-20-13(12-18)11-16-7-6-8-17-14(19)21-15(2,3)4/h13,16H,5-12H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate?
tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate has a molecular weight of 301.43 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate is sourced from PubChem (CID 114399643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).