3-morpholin-4-ylpropan-1-amine;oxepan-2-one

C13H26N2O3 — CID 86743370

IUPAC3-morpholin-4-ylpropan-1-amine;oxepan-2-one
SMILESNCCCN1CCOCC1.O=C1CCCCCO1
InChIInChI=1S/C7H16N2O.C6H10O2/c8-2-1-3-9-4-6-10-7-5-9;7-6-4-2-1-3-5-8-6/h1-8H2;1-5H2
InChIKeyBERIUYJZQSFETN-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.77
Rot. Bonds3

About 3-morpholin-4-ylpropan-1-amine;oxepan-2-one

3-morpholin-4-ylpropan-1-amine;oxepan-2-one (PubChem CID 86743370) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-morpholin-4-ylpropan-1-amine;oxepan-2-one.

Molecular Properties

Compound Name3-morpholin-4-ylpropan-1-amine;oxepan-2-one
PubChem CID86743370
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-morpholin-4-ylpropan-1-amine;oxepan-2-one
SMILESNCCCN1CCOCC1.O=C1CCCCCO1
InChIInChI=1S/C7H16N2O.C6H10O2/c8-2-1-3-9-4-6-10-7-5-9;7-6-4-2-1-3-5-8-6/h1-8H2;1-5H2
InChIKeyBERIUYJZQSFETN-UHFFFAOYSA-N
XLogP0.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,4-oxazepan-4-yl)propan-1-amine
CID 59833420
4-henicosyl-1,7-dioxa-4-azacycloheptadecane-8,17-dione
CID 101326459
4-pentadecyl-1,7-dioxa-4-azacycloheptadecane-8,17-dione
CID 101326453
4-nonadecyl-1,7-dioxa-4-azacycloheptadecane-8,17-dione
CID 101326457
1,6-dioxacyclotridecane-7,13-dione
CID 70450916
7-morpholin-4-ylheptan-1-amine
CID 28596900
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
hydrazine;5-morpholin-4-ylpentan-1-amine
CID 160561706
oxepan-2-one;propane-1,3-diol
CID 172823666
formonitrile;oxepan-2-one
CID 174857419
1,6-dioxacyclohexacosane-2,5-dione
CID 121270960
1,6-dioxacyclohexadecane-2,5-dione
CID 22483454

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropan-1-amine;oxepan-2-one?
The IUPAC name of 3-morpholin-4-ylpropan-1-amine;oxepan-2-one (CID 86743370) is 3-morpholin-4-ylpropan-1-amine;oxepan-2-one.
What is the SMILES notation for 3-morpholin-4-ylpropan-1-amine;oxepan-2-one?
The canonical SMILES for 3-morpholin-4-ylpropan-1-amine;oxepan-2-one is NCCCN1CCOCC1.O=C1CCCCCO1.
What is the InChIKey of 3-morpholin-4-ylpropan-1-amine;oxepan-2-one?
The InChIKey is BERIUYJZQSFETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C6H10O2/c8-2-1-3-9-4-6-10-7-5-9;7-6-4-2-1-3-5-8-6/h1-8H2;1-5H2.
What are the key properties of 3-morpholin-4-ylpropan-1-amine;oxepan-2-one?
3-morpholin-4-ylpropan-1-amine;oxepan-2-one has a molecular weight of 258.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropan-1-amine;oxepan-2-one is sourced from PubChem (CID 86743370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).