3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine

C12H26N2O — CID 57475890

IUPAC3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine
SMILESCC(C)(C)CCNCCN1CCOCC1
InChIInChI=1S/C12H26N2O/c1-12(2,3)4-5-13-6-7-14-8-10-15-11-9-14/h13H,4-11H2,1-3H3
InChIKeyDCXVWHBHSCNKQF-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

About 3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine

3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine (PubChem CID 57475890) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine
PubChem CID57475890
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine
SMILESCC(C)(C)CCNCCN1CCOCC1
InChIInChI=1S/C12H26N2O/c1-12(2,3)4-5-13-6-7-14-8-10-15-11-9-14/h13H,4-11H2,1-3H3
InChIKeyDCXVWHBHSCNKQF-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
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 3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine (CID 57475890) is 3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine is CC(C)(C)CCNCCN1CCOCC1.
What is the InChIKey of 3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine?
The InChIKey is DCXVWHBHSCNKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,3)4-5-13-6-7-14-8-10-15-11-9-14/h13H,4-11H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine?
3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine is sourced from PubChem (CID 57475890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).