N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine

C14H23NO — CID 102652139

IUPACN-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)C1CC2CCC1C2
InChIInChI=1S/C14H23NO/c1-2-15-14(13-4-3-7-16-13)12-9-10-5-6-11(12)8-10/h4,10-12,14-15H,2-3,5-9H2,1H3
InChIKeyRGGVIRUHUFGFIH-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.70
Rot. Bonds4

About N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine

N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine (PubChem CID 102652139) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine
PubChem CID102652139
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)C1CC2CCC1C2
InChIInChI=1S/C14H23NO/c1-2-15-14(13-4-3-7-16-13)12-9-10-5-6-11(12)8-10/h4,10-12,14-15H,2-3,5-9H2,1H3
InChIKeyRGGVIRUHUFGFIH-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61364743
N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine
CID 61365333
N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine
CID 114245867
N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107191593
N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 114246866
N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine
CID 102649116
N-[2-bicyclo[2.2.1]heptanyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680892
N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 63503340
N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114660353
N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine
CID 102651946
N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102652995
N-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine
CID 114246794

Frequently Asked Questions

What is the IUPAC name of N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The IUPAC name of N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine (CID 102652139) is N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The canonical SMILES for N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine is CCNC(C1=CCCO1)C1CC2CCC1C2.
What is the InChIKey of N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The InChIKey is RGGVIRUHUFGFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-15-14(13-4-3-7-16-13)12-9-10-5-6-11(12)8-10/h4,10-12,14-15H,2-3,5-9H2,1H3.
What are the key properties of N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine?
N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine is sourced from PubChem (CID 102652139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).