5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one

C13H26N2O2 — CID 58441848

IUPAC5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one
SMILESCC(C)(C)C(N)C(=O)CCCN1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)12(14)11(16)5-4-6-15-7-9-17-10-8-15/h12H,4-10,14H2,1-3H3
InChIKeyQULUMIUSBVYRDW-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.04
Rot. Bonds5

About 5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one

5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one (PubChem CID 58441848) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one.

Molecular Properties

Compound Name5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one
PubChem CID58441848
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one
SMILESCC(C)(C)C(N)C(=O)CCCN1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)12(14)11(16)5-4-6-15-7-9-17-10-8-15/h12H,4-10,14H2,1-3H3
InChIKeyQULUMIUSBVYRDW-UHFFFAOYSA-N
XLogP1.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride
CID 119852486
5-amino-6-methyl-1-morpholin-4-yloctan-4-one
CID 76787155
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869
2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
6-(1,4-oxazepan-4-yl)hexan-3-one
CID 106801426
5-morpholin-4-ylpentanehydrazide
CID 63570305
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
ethane;4-morpholin-4-ylbutan-1-ol
CID 162683886

Frequently Asked Questions

What is the IUPAC name of 5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one?
The IUPAC name of 5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one (CID 58441848) is 5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one.
What is the SMILES notation for 5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one?
The canonical SMILES for 5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one is CC(C)(C)C(N)C(=O)CCCN1CCOCC1.
What is the InChIKey of 5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one?
The InChIKey is QULUMIUSBVYRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)12(14)11(16)5-4-6-15-7-9-17-10-8-15/h12H,4-10,14H2,1-3H3.
What are the key properties of 5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one?
5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one has a molecular weight of 242.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6,6-dimethyl-1-morpholin-4-ylheptan-4-one is sourced from PubChem (CID 58441848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).