N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C14H22N2O — CID 115652214

IUPACN-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCc1ccoc1CNC1CCN2CCCCC12
InChIInChI=1S/C14H22N2O/c1-11-6-9-17-14(11)10-15-12-5-8-16-7-3-2-4-13(12)16/h6,9,12-13,15H,2-5,7-8,10H2,1H3
InChIKeyXQQOWBKXRWAUTD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.30
Rot. Bonds3

About N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 115652214) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID115652214
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCc1ccoc1CNC1CCN2CCCCC12
InChIInChI=1S/C14H22N2O/c1-11-6-9-17-14(11)10-15-12-5-8-16-7-3-2-4-13(12)16/h6,9,12-13,15H,2-5,7-8,10H2,1H3
InChIKeyXQQOWBKXRWAUTD-UHFFFAOYSA-N
XLogP2.30
TPSA28.41 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine with MolForge

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Related Compounds

2,3-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 115651167
[2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol
CID 111467057
N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79267082
N-[(3-bromo-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115876037
N-[(4-tert-butylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694267
methyl 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]furan-2-carboxylate
CID 43792626
(1S,8aR)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 96932938
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783466
N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 66410553
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-3-methylbenzamide
CID 114480105
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzene-1,2,3-triol
CID 103953182
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzonitrile
CID 43694345

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 115652214) is N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is Cc1ccoc1CNC1CCN2CCCCC12.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is XQQOWBKXRWAUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-6-9-17-14(11)10-15-12-5-8-16-7-3-2-4-13(12)16/h6,9,12-13,15H,2-5,7-8,10H2,1H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 115652214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).