[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine

C14H22N2O — CID 82750611

IUPAC[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine
SMILESNCc1ccc(CN2CCC3CCCCC32)o1
InChIInChI=1S/C14H22N2O/c15-9-12-5-6-13(17-12)10-16-8-7-11-3-1-2-4-14(11)16/h5-6,11,14H,1-4,7-10,15H2
InChIKeyYAAQWOWAKFYRSM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.50
Rot. Bonds3

About [5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine

[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine (PubChem CID 82750611) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine
PubChem CID82750611
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine
SMILESNCc1ccc(CN2CCC3CCCCC32)o1
InChIInChI=1S/C14H22N2O/c15-9-12-5-6-13(17-12)10-16-8-7-11-3-1-2-4-14(11)16/h5-6,11,14H,1-4,7-10,15H2
InChIKeyYAAQWOWAKFYRSM-UHFFFAOYSA-N
XLogP2.50
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine with MolForge

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Related Compounds

[5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62429634
1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 65324762
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-carbohydrazide
CID 65322215
N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 65322579
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine
CID 82753407
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-fluoroaniline
CID 82747102
1-[[5-(aminomethyl)furan-2-yl]methyl]piperidin-4-ol
CID 82508099
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine
CID 82753252
2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]acetohydrazide
CID 105352055
[5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438530
[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 63167064
[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107878335

Frequently Asked Questions

What is the IUPAC name of [5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine?
The IUPAC name of [5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine (CID 82750611) is [5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine is NCc1ccc(CN2CCC3CCCCC32)o1.
What is the InChIKey of [5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine?
The InChIKey is YAAQWOWAKFYRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-9-12-5-6-13(17-12)10-16-8-7-11-3-1-2-4-14(11)16/h5-6,11,14H,1-4,7-10,15H2.
What are the key properties of [5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine?
[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine is sourced from PubChem (CID 82750611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).