(3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine

C14H28N2O — CID 156861026

IUPAC(3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine
SMILESCC(C)CN1CCO/C(=C\CCNC(C)C)C1
InChIInChI=1S/C14H28N2O/c1-12(2)10-16-8-9-17-14(11-16)6-5-7-15-13(3)4/h6,12-13,15H,5,7-11H2,1-4H3/b14-6-
InChIKeyREJQWGJDUHFPLT-NSIKDUERSA-N
MW240.39 g/mol
LogP2.25
Rot. Bonds6

About (3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine

(3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine (PubChem CID 156861026) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine
PubChem CID156861026
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine
SMILESCC(C)CN1CCO/C(=C\CCNC(C)C)C1
InChIInChI=1S/C14H28N2O/c1-12(2)10-16-8-9-17-14(11-16)6-5-7-15-13(3)4/h6,12-13,15H,5,7-11H2,1-4H3/b14-6-
InChIKeyREJQWGJDUHFPLT-NSIKDUERSA-N
XLogP2.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.25
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 (3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine?
The IUPAC name of (3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine (CID 156861026) is (3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for (3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for (3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine is CC(C)CN1CCO/C(=C\CCNC(C)C)C1.
What is the InChIKey of (3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine?
The InChIKey is REJQWGJDUHFPLT-NSIKDUERSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)10-16-8-9-17-14(11-16)6-5-7-15-13(3)4/h6,12-13,15H,5,7-11H2,1-4H3/b14-6-.
What are the key properties of (3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine?
(3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[4-(2-methylpropyl)morpholin-2-ylidene]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 156861026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).