tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate

C15H31N3O3 — CID 107247432

IUPACtert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate
SMILESCC(CC1COCCN1)NCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O3/c1-11(8-13-10-20-7-6-16-13)17-9-12(2)18-14(19)21-15(3,4)5/h11-13,16-17H,6-10H2,1-5H3,(H,18,19)
InChIKeyTXVOBYLGMMZFBK-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.26
Rot. Bonds6

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

tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate (PubChem CID 107247432) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate
PubChem CID107247432
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Nametert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate
SMILESCC(CC1COCCN1)NCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O3/c1-11(8-13-10-20-7-6-16-13)17-9-12(2)18-14(19)21-15(3,4)5/h11-13,16-17H,6-10H2,1-5H3,(H,18,19)
InChIKeyTXVOBYLGMMZFBK-UHFFFAOYSA-N
XLogP1.26
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.26
H-Bond Donors ≤ 53
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-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate
CID 107244961
tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate
CID 107239334
3-ethyl-1-(1-morpholin-3-ylpropan-2-ylamino)pentan-2-ol
CID 106284470
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 113481318
tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678
tert-butyl 3-morpholin-3-ylpropanoate
CID 53408695
tert-butyl N-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propan-2-yl]carbamate
CID 130574165
tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237914
tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate
CID 107247716
2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride
CID 90043742

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate (CID 107247432) is tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate is CC(CC1COCCN1)NCC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate?
The InChIKey is TXVOBYLGMMZFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-11(8-13-10-20-7-6-16-13)17-9-12(2)18-14(19)21-15(3,4)5/h11-13,16-17H,6-10H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate?
tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate has a molecular weight of 301.43 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate is sourced from PubChem (CID 107247432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).