1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine

C17H31N3O — CID 62436022

IUPAC1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine
SMILESCCCNCc1occc1CN(C)C1CCN(CC)CC1
InChIInChI=1S/C17H31N3O/c1-4-9-18-13-17-15(8-12-21-17)14-19(3)16-6-10-20(5-2)11-7-16/h8,12,16,18H,4-7,9-11,13-14H2,1-3H3
InChIKeyVMNMITDVQVBMIH-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.70
Rot. Bonds8

About 1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine

1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine (PubChem CID 62436022) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine
PubChem CID62436022
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine
SMILESCCCNCc1occc1CN(C)C1CCN(CC)CC1
InChIInChI=1S/C17H31N3O/c1-4-9-18-13-17-15(8-12-21-17)14-19(3)16-6-10-20(5-2)11-7-16/h8,12,16,18H,4-7,9-11,13-14H2,1-3H3
InChIKeyVMNMITDVQVBMIH-UHFFFAOYSA-N
XLogP2.70
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-methylcyclopentanamine
CID 55074631
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62438844
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]furan-2-yl]methyl]propan-1-amine
CID 63978913
N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62424704
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439899
N-methyl-N-[[2-[(2-methylpropylamino)methyl]furan-3-yl]methyl]cyclopentanamine
CID 62419680
N,2-dimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine
CID 63964105
N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 62462443
N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62411816
N-[[3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62461529
N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 55211059
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine
CID 62417012

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine (CID 62436022) is 1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine is CCCNCc1occc1CN(C)C1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine?
The InChIKey is VMNMITDVQVBMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-9-18-13-17-15(8-12-21-17)14-19(3)16-6-10-20(5-2)11-7-16/h8,12,16,18H,4-7,9-11,13-14H2,1-3H3.
What are the key properties of 1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine?
1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine has a molecular weight of 293.46 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 62436022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).