7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one

C12H24N2O3 — CID 81203461

IUPAC7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one
SMILESNCCCCCCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C12H24N2O3/c13-6-4-2-1-3-5-12(16)14-7-8-17-11(9-14)10-15/h11,15H,1-10,13H2
InChIKeyRTTRZODJVZLQFW-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.12
Rot. Bonds7

About 7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one

7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one (PubChem CID 81203461) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one.

Molecular Properties

Compound Name7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one
PubChem CID81203461
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one
SMILESNCCCCCCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C12H24N2O3/c13-6-4-2-1-3-5-12(16)14-7-8-17-11(9-14)10-15/h11,15H,1-10,13H2
InChIKeyRTTRZODJVZLQFW-UHFFFAOYSA-N
XLogP0.12
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.12
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

6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one
CID 81204003
5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one
CID 81202936
6-amino-1-(2-ethyl-1,4-oxazepan-4-yl)hexan-1-one
CID 114218375
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713
7-amino-1-(1,4-oxazepan-4-yl)heptan-1-one
CID 62973457
6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one
CID 4861310
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43590415
1-[2-(hydroxymethyl)morpholin-4-yl]-4-phenylsulfanylbutan-1-one
CID 81208853
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119700490

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one?
The IUPAC name of 7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one (CID 81203461) is 7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one.
What is the SMILES notation for 7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one?
The canonical SMILES for 7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one is NCCCCCCC(=O)N1CCOC(CO)C1.
What is the InChIKey of 7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one?
The InChIKey is RTTRZODJVZLQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c13-6-4-2-1-3-5-12(16)14-7-8-17-11(9-14)10-15/h11,15H,1-10,13H2.
What are the key properties of 7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one?
7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one has a molecular weight of 244.33 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one is sourced from PubChem (CID 81203461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).