N-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine

C13H28N2O — CID 62569533

IUPACN-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine
SMILESCCCCNCC(C)N1CC(C)OCC1C
InChIInChI=1S/C13H28N2O/c1-5-6-7-14-8-11(2)15-9-13(4)16-10-12(15)3/h11-14H,5-10H2,1-4H3
InChIKeyOGOUNAKMQZCBJL-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.87
Rot. Bonds6

About N-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine

N-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine (PubChem CID 62569533) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine
PubChem CID62569533
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine
SMILESCCCCNCC(C)N1CC(C)OCC1C
InChIInChI=1S/C13H28N2O/c1-5-6-7-14-8-11(2)15-9-13(4)16-10-12(15)3/h11-14H,5-10H2,1-4H3
InChIKeyOGOUNAKMQZCBJL-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine?
The IUPAC name of N-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine (CID 62569533) is N-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine.
What is the SMILES notation for N-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine?
The canonical SMILES for N-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine is CCCCNCC(C)N1CC(C)OCC1C.
What is the InChIKey of N-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine?
The InChIKey is OGOUNAKMQZCBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-6-7-14-8-11(2)15-9-13(4)16-10-12(15)3/h11-14H,5-10H2,1-4H3.
What are the key properties of N-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine?
N-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine is sourced from PubChem (CID 62569533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).