N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine

C11H22N2O — CID 64533284

IUPACN-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine
SMILESCC(C)N1CCOC(CNC2CC2)C1
InChIInChI=1S/C11H22N2O/c1-9(2)13-5-6-14-11(8-13)7-12-10-3-4-10/h9-12H,3-8H2,1-2H3
InChIKeyHWTXXUASQDHKCR-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds4

About N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine

N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine (PubChem CID 64533284) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine
PubChem CID64533284
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine
SMILESCC(C)N1CCOC(CNC2CC2)C1
InChIInChI=1S/C11H22N2O/c1-9(2)13-5-6-14-11(8-13)7-12-10-3-4-10/h9-12H,3-8H2,1-2H3
InChIKeyHWTXXUASQDHKCR-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine (CID 64533284) is N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine is CC(C)N1CCOC(CNC2CC2)C1.
What is the InChIKey of N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine?
The InChIKey is HWTXXUASQDHKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)13-5-6-14-11(8-13)7-12-10-3-4-10/h9-12H,3-8H2,1-2H3.
What are the key properties of N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine?
N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 64533284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).