methane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine

C12H28N2O — CID 158144321

IUPACmethane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine
SMILESC.CC(C)(C)NCCCN1CCOCC1
InChIInChI=1S/C11H24N2O.CH4/c1-11(2,3)12-5-4-6-13-7-9-14-10-8-13;/h12H,4-10H2,1-3H3;1H4
InChIKeyFUICULMFMYETMJ-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds4

About methane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine

methane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine (PubChem CID 158144321) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is methane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine.

Molecular Properties

Compound Namemethane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine
PubChem CID158144321
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Namemethane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine
SMILESC.CC(C)(C)NCCCN1CCOCC1
InChIInChI=1S/C11H24N2O.CH4/c1-11(2,3)12-5-4-6-13-7-9-14-10-8-13;/h12H,4-10H2,1-3H3;1H4
InChIKeyFUICULMFMYETMJ-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
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 methane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine?
The IUPAC name of methane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine (CID 158144321) is methane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine.
What is the SMILES notation for methane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine?
The canonical SMILES for methane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine is C.CC(C)(C)NCCCN1CCOCC1.
What is the InChIKey of methane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine?
The InChIKey is FUICULMFMYETMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.CH4/c1-11(2,3)12-5-4-6-13-7-9-14-10-8-13;/h12H,4-10H2,1-3H3;1H4.
What are the key properties of methane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine?
methane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-N-(3-morpholin-4-ylpropyl)propan-2-amine is sourced from PubChem (CID 158144321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).