N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

C17H31N3O — CID 62417443

IUPACN-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN1CCN(Cc2cc(CNC(C)(C)C)oc2C)CC1
InChIInChI=1S/C17H31N3O/c1-6-19-7-9-20(10-8-19)13-15-11-16(21-14(15)2)12-18-17(3,4)5/h11,18H,6-10,12-13H2,1-5H3
InChIKeyMZTJNWTYIAHPLJ-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.61
Rot. Bonds5

About N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62417443) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62417443
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN1CCN(Cc2cc(CNC(C)(C)C)oc2C)CC1
InChIInChI=1S/C17H31N3O/c1-6-19-7-9-20(10-8-19)13-15-11-16(21-14(15)2)12-18-17(3,4)5/h11,18H,6-10,12-13H2,1-5H3
InChIKeyMZTJNWTYIAHPLJ-UHFFFAOYSA-N
XLogP2.61
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(azocan-1-ylmethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62417501
N-[[5-(azocan-1-ylmethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62418059
2-methyl-N-[[2-methyl-5-(piperidin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62424694
1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62417631
N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62434075
N-methyl-1-[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62775548
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62422752
N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
CID 62419048
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62419565
N-methyl-1-[5-methyl-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62425837
N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 63163387
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine
CID 62463726

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (CID 62417443) is N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is CCN1CCN(Cc2cc(CNC(C)(C)C)oc2C)CC1.
What is the InChIKey of N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MZTJNWTYIAHPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-19-7-9-20(10-8-19)13-15-11-16(21-14(15)2)12-18-17(3,4)5/h11,18H,6-10,12-13H2,1-5H3.
What are the key properties of N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62417443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).