N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine

C23H37N3O2 — CID 120915033

IUPACN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCC1CN(Cc2ccc(CNC3CCCC3C3COCCN3)cc2)CC(C)O1
InChIInChI=1S/C23H37N3O2/c1-17-13-26(14-18(2)28-17)15-20-8-6-19(7-9-20)12-25-22-5-3-4-21(22)23-16-27-11-10-24-23/h6-9,17-18,21-25H,3-5,10-16H2,1-2H3
InChIKeyAZFDCCFCRADMOW-UHFFFAOYSA-N
MW387.57 g/mol
LogP2.54
Rot. Bonds6

About N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120915033) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120915033
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC NameN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCC1CN(Cc2ccc(CNC3CCCC3C3COCCN3)cc2)CC(C)O1
InChIInChI=1S/C23H37N3O2/c1-17-13-26(14-18(2)28-17)15-20-8-6-19(7-9-20)12-25-22-5-3-4-21(22)23-16-27-11-10-24-23/h6-9,17-18,21-25H,3-5,10-16H2,1-2H3
InChIKeyAZFDCCFCRADMOW-UHFFFAOYSA-N
XLogP2.54
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120915033) is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is CC1CN(Cc2ccc(CNC3CCCC3C3COCCN3)cc2)CC(C)O1.
What is the InChIKey of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is AZFDCCFCRADMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-17-13-26(14-18(2)28-17)15-20-8-6-19(7-9-20)12-25-22-5-3-4-21(22)23-16-27-11-10-24-23/h6-9,17-18,21-25H,3-5,10-16H2,1-2H3.
What are the key properties of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 387.57 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120915033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).