N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine

C15H24N2O — CID 106316636

IUPACN-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(CN2CCC=C(C)C2)c1
InChIInChI=1S/C15H24N2O/c1-3-6-16-9-14-8-15(18-12-14)11-17-7-4-5-13(2)10-17/h5,8,12,16H,3-4,6-7,9-11H2,1-2H3
InChIKeyIWGQLGJYRPQOIS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.93
Rot. Bonds6

About N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine

N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 106316636) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID106316636
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(CN2CCC=C(C)C2)c1
InChIInChI=1S/C15H24N2O/c1-3-6-16-9-14-8-15(18-12-14)11-17-7-4-5-13(2)10-17/h5,8,12,16H,3-4,6-7,9-11H2,1-2H3
InChIKeyIWGQLGJYRPQOIS-UHFFFAOYSA-N
XLogP2.93
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 107456266
N-[(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820468
N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62448149
N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62412126
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]furan-3-yl]methyl]propan-1-amine
CID 62888715
2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine
CID 106316650
N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine
CID 114820512
N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine
CID 63153088
2-methyl-N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114413319
N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62463352
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]ethanamine
CID 55143655
N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine
CID 114172704

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (CID 106316636) is N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1coc(CN2CCC=C(C)C2)c1.
What is the InChIKey of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is IWGQLGJYRPQOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-6-16-9-14-8-15(18-12-14)11-17-7-4-5-13(2)10-17/h5,8,12,16H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 106316636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).