N-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine

C19H26N2O2 — CID 47000570

IUPACN-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cccnc1)Cc1ccc(C2CCCCO2)o1
InChIInChI=1S/C19H26N2O2/c1-2-11-21(14-16-6-5-10-20-13-16)15-17-8-9-19(23-17)18-7-3-4-12-22-18/h5-6,8-10,13,18H,2-4,7,11-12,14-15H2,1H3
InChIKeyBKPHIHMOJBBTCS-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.33
Rot. Bonds7

About N-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine

N-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 47000570) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID47000570
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cccnc1)Cc1ccc(C2CCCCO2)o1
InChIInChI=1S/C19H26N2O2/c1-2-11-21(14-16-6-5-10-20-13-16)15-17-8-9-19(23-17)18-7-3-4-12-22-18/h5-6,8-10,13,18H,2-4,7,11-12,14-15H2,1H3
InChIKeyBKPHIHMOJBBTCS-UHFFFAOYSA-N
XLogP4.33
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine (CID 47000570) is N-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine is CCCN(Cc1cccnc1)Cc1ccc(C2CCCCO2)o1.
What is the InChIKey of N-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is BKPHIHMOJBBTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-11-21(14-16-6-5-10-20-13-16)15-17-8-9-19(23-17)18-7-3-4-12-22-18/h5-6,8-10,13,18H,2-4,7,11-12,14-15H2,1H3.
What are the key properties of N-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
N-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 314.43 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxan-2-yl)furan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 47000570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).