1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

C13H21ClN2O — CID 78912358

IUPAC1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2ccc(Cl)o2)CCCC1
InChIInChI=1S/C13H21ClN2O/c1-16(2)13(7-3-4-8-13)10-15-9-11-5-6-12(14)17-11/h5-6,15H,3-4,7-10H2,1-2H3
InChIKeyTWFJZZXOGSLYFH-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.90
Rot. Bonds5

About 1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 78912358) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID78912358
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2ccc(Cl)o2)CCCC1
InChIInChI=1S/C13H21ClN2O/c1-16(2)13(7-3-4-8-13)10-15-9-11-5-6-12(14)17-11/h5-6,15H,3-4,7-10H2,1-2H3
InChIKeyTWFJZZXOGSLYFH-UHFFFAOYSA-N
XLogP2.90
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (CID 78912358) is 1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(CNCc2ccc(Cl)o2)CCCC1.
What is the InChIKey of 1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is TWFJZZXOGSLYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-16(2)13(7-3-4-8-13)10-15-9-11-5-6-12(14)17-11/h5-6,15H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 256.78 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-chlorofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 78912358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).