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

C14H28N2O — CID 55093989

IUPACN-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine
SMILESCNC1CCCCCC1CN1CCOCC1C
InChIInChI=1S/C14H28N2O/c1-12-11-17-9-8-16(12)10-13-6-4-3-5-7-14(13)15-2/h12-15H,3-11H2,1-2H3
InChIKeySSOFRIFYVMYIFI-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds3

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

N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine (PubChem CID 55093989) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine
PubChem CID55093989
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine
SMILESCNC1CCCCCC1CN1CCOCC1C
InChIInChI=1S/C14H28N2O/c1-12-11-17-9-8-16(12)10-13-6-4-3-5-7-14(13)15-2/h12-15H,3-11H2,1-2H3
InChIKeySSOFRIFYVMYIFI-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine?
The IUPAC name of N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine (CID 55093989) is N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine is CNC1CCCCCC1CN1CCOCC1C.
What is the InChIKey of N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine?
The InChIKey is SSOFRIFYVMYIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-11-17-9-8-16(12)10-13-6-4-3-5-7-14(13)15-2/h12-15H,3-11H2,1-2H3.
What are the key properties of N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine?
N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 55093989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).