3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine

C15H28N2O — CID 79083040

IUPAC3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
SMILESCN1CCOC(CNC2CCCC(C3CC3)C2)C1
InChIInChI=1S/C15H28N2O/c1-17-7-8-18-15(11-17)10-16-14-4-2-3-13(9-14)12-5-6-12/h12-16H,2-11H2,1H3
InChIKeyMBTKNJUHEZLXRB-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.88
Rot. Bonds4

About 3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine

3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine (PubChem CID 79083040) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
PubChem CID79083040
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
SMILESCN1CCOC(CNC2CCCC(C3CC3)C2)C1
InChIInChI=1S/C15H28N2O/c1-17-7-8-18-15(11-17)10-16-14-4-2-3-13(9-14)12-5-6-12/h12-16H,2-11H2,1H3
InChIKeyMBTKNJUHEZLXRB-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine (CID 79083040) is 3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine is CN1CCOC(CNC2CCCC(C3CC3)C2)C1.
What is the InChIKey of 3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is MBTKNJUHEZLXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-17-7-8-18-15(11-17)10-16-14-4-2-3-13(9-14)12-5-6-12/h12-16H,2-11H2,1H3.
What are the key properties of 3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine?
3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79083040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).