N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine

C18H28N2O — CID 71884416

IUPACN-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine
SMILESCC1CN(Cc2cccc(CNC3CCCC3)c2)CCO1
InChIInChI=1S/C18H28N2O/c1-15-13-20(9-10-21-15)14-17-6-4-5-16(11-17)12-19-18-7-2-3-8-18/h4-6,11,15,18-19H,2-3,7-10,12-14H2,1H3
InChIKeyVFOXXPVJXONHQT-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.94
Rot. Bonds5

About N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine

N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine (PubChem CID 71884416) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine
PubChem CID71884416
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine
SMILESCC1CN(Cc2cccc(CNC3CCCC3)c2)CCO1
InChIInChI=1S/C18H28N2O/c1-15-13-20(9-10-21-15)14-17-6-4-5-16(11-17)12-19-18-7-2-3-8-18/h4-6,11,15,18-19H,2-3,7-10,12-14H2,1H3
InChIKeyVFOXXPVJXONHQT-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine (CID 71884416) is N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine is CC1CN(Cc2cccc(CNC3CCCC3)c2)CCO1.
What is the InChIKey of N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine?
The InChIKey is VFOXXPVJXONHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-13-20(9-10-21-15)14-17-6-4-5-16(11-17)12-19-18-7-2-3-8-18/h4-6,11,15,18-19H,2-3,7-10,12-14H2,1H3.
What are the key properties of N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine?
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine has a molecular weight of 288.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentanamine is sourced from PubChem (CID 71884416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).