2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one

C12H25N3O2 — CID 63225345

IUPAC2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(CCN)N(C)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-10(4-5-13)14(3)11(2)12(16)15-6-8-17-9-7-15/h10-11H,4-9,13H2,1-3H3
InChIKeyKSQSPFVTSAYZIS-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.10
Rot. Bonds5

About 2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one

2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 63225345) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID63225345
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(CCN)N(C)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-10(4-5-13)14(3)11(2)12(16)15-6-8-17-9-7-15/h10-11H,4-9,13H2,1-3H3
InChIKeyKSQSPFVTSAYZIS-UHFFFAOYSA-N
XLogP-0.10
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-aminopropyl(ethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 43137254
4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide
CID 113408473
2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 63287403
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one
CID 79661173
(2S)-2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 121221521
methyl 2-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]acetate
CID 60660390
2-chloro-1-morpholin-4-ylbutan-1-one
CID 62226878
2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile
CID 54983450
3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid
CID 62853315
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708
2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one
CID 61015072

Frequently Asked Questions

What is the IUPAC name of 2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one (CID 63225345) is 2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one is CC(CCN)N(C)C(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is KSQSPFVTSAYZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(4-5-13)14(3)11(2)12(16)15-6-8-17-9-7-15/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one?
2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 243.35 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 63225345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).