2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one

C13H27N3O2 — CID 107446064

IUPAC2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCCNC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-11(14-5-6-15-13(2,3)4)12(17)16-7-9-18-10-8-16/h11,14-15H,5-10H2,1-4H3
InChIKeyBCMRLULRNCTBSY-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.21
Rot. Bonds5

About 2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one

2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 107446064) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID107446064
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCCNC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-11(14-5-6-15-13(2,3)4)12(17)16-7-9-18-10-8-16/h11,14-15H,5-10H2,1-4H3
InChIKeyBCMRLULRNCTBSY-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one
CID 107703595
2-hydroxy-2-methyl-3-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid
CID 104645019
2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one
CID 54905141
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239
N,N-diethyl-3-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanamide
CID 115588983
1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one
CID 106325630
2-(2-morpholin-4-ylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083600
2-[3-(2-methylpropoxy)propylamino]-1-morpholin-4-ylpropan-1-one
CID 103605790
2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104624292
2-(2-methylpentylamino)-1-morpholin-4-ylpropan-1-one
CID 113352721
3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 113408370
2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-morpholin-4-ylpropan-1-one
CID 63318437

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one (CID 107446064) is 2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one is CC(NCCNC(C)(C)C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is BCMRLULRNCTBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(14-5-6-15-13(2,3)4)12(17)16-7-9-18-10-8-16/h11,14-15H,5-10H2,1-4H3.
What are the key properties of 2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one?
2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 257.38 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 107446064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).