N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine

C15H24N2O — CID 63681873

IUPACN-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
SMILESCN(Cc1ccc(CN)o1)CC1CC2CCC1C2
InChIInChI=1S/C15H24N2O/c1-17(10-15-5-4-14(8-16)18-15)9-13-7-11-2-3-12(13)6-11/h4-5,11-13H,2-3,6-10,16H2,1H3
InChIKeyWIXBMTYDINOTNR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.61
Rot. Bonds5

About N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine

N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine (PubChem CID 63681873) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
PubChem CID63681873
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
SMILESCN(Cc1ccc(CN)o1)CC1CC2CCC1C2
InChIInChI=1S/C15H24N2O/c1-17(10-15-5-4-14(8-16)18-15)9-13-7-11-2-3-12(13)6-11/h4-5,11-13H,2-3,6-10,16H2,1H3
InChIKeyWIXBMTYDINOTNR-UHFFFAOYSA-N
XLogP2.61
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine?
The IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine (CID 63681873) is N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine?
The canonical SMILES for N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine is CN(Cc1ccc(CN)o1)CC1CC2CCC1C2.
What is the InChIKey of N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine?
The InChIKey is WIXBMTYDINOTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(10-15-5-4-14(8-16)18-15)9-13-7-11-2-3-12(13)6-11/h4-5,11-13H,2-3,6-10,16H2,1H3.
What are the key properties of N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine?
N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine is sourced from PubChem (CID 63681873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).