N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine

C17H30N2O — CID 62432159

IUPACN-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCCC(CC)C2)c(C)o1
InChIInChI=1S/C17H30N2O/c1-4-8-18-11-17-10-16(14(3)20-17)13-19-9-6-7-15(5-2)12-19/h10,15,18H,4-9,11-13H2,1-3H3
InChIKeyDRUCUNNGSSJZLJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.71
Rot. Bonds7

About N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine

N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine (PubChem CID 62432159) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
PubChem CID62432159
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN2CCCC(CC)C2)c(C)o1
InChIInChI=1S/C17H30N2O/c1-4-8-18-11-17-10-16(14(3)20-17)13-19-9-6-7-15(5-2)12-19/h10,15,18H,4-9,11-13H2,1-3H3
InChIKeyDRUCUNNGSSJZLJ-UHFFFAOYSA-N
XLogP3.71
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55074153
N-[[5-[(3-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62432690
N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 102967917
N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 104692301
N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 102968207
N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62411545
N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62431812
N,N,4-trimethyl-1-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]pyrrolidin-3-amine
CID 81465367
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62427660
N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412026
N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62411045
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62887839

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine (CID 62432159) is N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine is CCCNCc1cc(CN2CCCC(CC)C2)c(C)o1.
What is the InChIKey of N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
The InChIKey is DRUCUNNGSSJZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-8-18-11-17-10-16(14(3)20-17)13-19-9-6-7-15(5-2)12-19/h10,15,18H,4-9,11-13H2,1-3H3.
What are the key properties of N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62432159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).