1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one

C13H26N2O2 — CID 61336421

IUPAC1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one
SMILESCCCCC(CC)C(=O)N1CCOC(CN)C1
InChIInChI=1S/C13H26N2O2/c1-3-5-6-11(4-2)13(16)15-7-8-17-12(9-14)10-15/h11-12H,3-10,14H2,1-2H3
InChIKeyQKSNLYAMBLTLOJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds6

About 1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one

1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one (PubChem CID 61336421) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one
PubChem CID61336421
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one
SMILESCCCCC(CC)C(=O)N1CCOC(CN)C1
InChIInChI=1S/C13H26N2O2/c1-3-5-6-11(4-2)13(16)15-7-8-17-12(9-14)10-15/h11-12H,3-10,14H2,1-2H3
InChIKeyQKSNLYAMBLTLOJ-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)morpholin-4-yl]-2,2-difluoroethanone
CID 103840827
(2S)-2-amino-1-(2-ethylmorpholin-4-yl)hexan-1-one
CID 103831207
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one
CID 114960563
2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one
CID 63106212
1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 114873390
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
CID 114802168
2-(aminomethyl)-N-ethylmorpholine-4-carboxamide
CID 61337795
1-(3-bromopyrrolidin-1-yl)-2-ethylhexan-1-one
CID 80677700
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773
2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one
CID 81203282
2-(aminomethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 61337402

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one?
The IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one (CID 61336421) is 1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one is CCCCC(CC)C(=O)N1CCOC(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one?
The InChIKey is QKSNLYAMBLTLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-5-6-11(4-2)13(16)15-7-8-17-12(9-14)10-15/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one?
1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one is sourced from PubChem (CID 61336421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).