tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate

C15H31N3O3 — CID 107244961

IUPACtert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate
SMILESCC(CC1COCCN1)NCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O3/c1-12(10-13-11-20-9-7-17-13)16-6-8-18(5)14(19)21-15(2,3)4/h12-13,16-17H,6-11H2,1-5H3
InChIKeyRFXIUYRULPURNR-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.21
Rot. Bonds6

About tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate

tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate (PubChem CID 107244961) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate
PubChem CID107244961
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Nametert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate
SMILESCC(CC1COCCN1)NCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O3/c1-12(10-13-11-20-9-7-17-13)16-6-8-18(5)14(19)21-15(2,3)4/h12-13,16-17H,6-11H2,1-5H3
InChIKeyRFXIUYRULPURNR-UHFFFAOYSA-N
XLogP1.21
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

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Related Compounds

tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate
CID 107246908
tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate
CID 107247432
N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine
CID 113461930
tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
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tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate
CID 107246413
N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 113481318
tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate
CID 103780595
tert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate
CID 87899676
tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate
CID 107239334
N-[3-(2-methoxyethoxy)propyl]-1-morpholin-3-ylpropan-2-amine
CID 113461867
tert-butyl N-[2-(dicyclopropylmethylamino)ethyl]-N-methylcarbamate
CID 103780550
4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 106124715

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate (CID 107244961) is tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate is CC(CC1COCCN1)NCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate?
The InChIKey is RFXIUYRULPURNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-12(10-13-11-20-9-7-17-13)16-6-8-18(5)14(19)21-15(2,3)4/h12-13,16-17H,6-11H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate has a molecular weight of 301.43 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 107244961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).