N-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine

C12H26N2O — CID 28643360

IUPACN-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCCCCNCC(C)(C)N1CCOCC1
InChIInChI=1S/C12H26N2O/c1-4-5-6-13-11-12(2,3)14-7-9-15-10-8-14/h13H,4-11H2,1-3H3
InChIKeyOOAREVAMWRTILD-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About N-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine

N-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 28643360) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID28643360
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCCCCNCC(C)(C)N1CCOCC1
InChIInChI=1S/C12H26N2O/c1-4-5-6-13-11-12(2,3)14-7-9-15-10-8-14/h13H,4-11H2,1-3H3
InChIKeyOOAREVAMWRTILD-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
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-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine (CID 28643360) is N-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine is CCCCNCC(C)(C)N1CCOCC1.
What is the InChIKey of N-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is OOAREVAMWRTILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-5-6-13-11-12(2,3)14-7-9-15-10-8-14/h13H,4-11H2,1-3H3.
What are the key properties of N-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine?
N-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 28643360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).