4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine

C13H28N2O — CID 89460379

IUPAC4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
SMILESCC(C)(C)CCCNCCN1CCOCC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)5-4-6-14-7-8-15-9-11-16-12-10-15/h14H,4-12H2,1-3H3
InChIKeyCFQNUQRZROKEOL-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About 4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine

4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine (PubChem CID 89460379) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
PubChem CID89460379
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
SMILESCC(C)(C)CCCNCCN1CCOCC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)5-4-6-14-7-8-15-9-11-16-12-10-15/h14H,4-12H2,1-3H3
InChIKeyCFQNUQRZROKEOL-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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 4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine (CID 89460379) is 4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine is CC(C)(C)CCCNCCN1CCOCC1.
What is the InChIKey of 4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine?
The InChIKey is CFQNUQRZROKEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)5-4-6-14-7-8-15-9-11-16-12-10-15/h14H,4-12H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine?
4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine is sourced from PubChem (CID 89460379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).