N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine

C17H31N3O — CID 63619462

IUPACN-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCC1CN(Cc2occc2CNCC(C)C)CCN1C
InChIInChI=1S/C17H31N3O/c1-5-16-12-20(8-7-19(16)4)13-17-15(6-9-21-17)11-18-10-14(2)3/h6,9,14,16,18H,5,7-8,10-13H2,1-4H3
InChIKeyRSQMUJXKTRZTKW-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.55
Rot. Bonds7

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

N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63619462) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID63619462
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCC1CN(Cc2occc2CNCC(C)C)CCN1C
InChIInChI=1S/C17H31N3O/c1-5-16-12-20(8-7-19(16)4)13-17-15(6-9-21-17)11-18-10-14(2)3/h6,9,14,16,18H,5,7-8,10-13H2,1-4H3
InChIKeyRSQMUJXKTRZTKW-UHFFFAOYSA-N
XLogP2.55
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63620979
2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114540092
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556838
N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417686
N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 83221234
2-methyl-N-[[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114413247
N-[[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62461599
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62423949
N-[[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 103540003
N-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62431404
N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63611055
N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 63620967

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine (CID 63619462) is N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine is CCC1CN(Cc2occc2CNCC(C)C)CCN1C.
What is the InChIKey of N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is RSQMUJXKTRZTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-16-12-20(8-7-19(16)4)13-17-15(6-9-21-17)11-18-10-14(2)3/h6,9,14,16,18H,5,7-8,10-13H2,1-4H3.
What are the key properties of N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63619462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).