N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine

C14H25N3O — CID 115239457

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
SMILESCc1ccc(CN(C)CCC2CN(C)CCN2)o1
InChIInChI=1S/C14H25N3O/c1-12-4-5-14(18-12)11-16(2)8-6-13-10-17(3)9-7-15-13/h4-5,13,15H,6-11H2,1-3H3
InChIKeyHBSFOCOZNLXULL-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.31
Rot. Bonds5

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine (PubChem CID 115239457) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
PubChem CID115239457
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
SMILESCc1ccc(CN(C)CCC2CN(C)CCN2)o1
InChIInChI=1S/C14H25N3O/c1-12-4-5-14(18-12)11-16(2)8-6-13-10-17(3)9-7-15-13/h4-5,13,15H,6-11H2,1-3H3
InChIKeyHBSFOCOZNLXULL-UHFFFAOYSA-N
XLogP1.31
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine
CID 115239392
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine
CID 66422921
N-methyl-2-(4-methylpiperazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115239455
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-morpholin-2-ylethanamine
CID 66429621
1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine
CID 116941714
N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine
CID 115239388
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine
CID 64952375
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 16768485
N,N-diethyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 83619171
4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline
CID 115239371
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
CID 117029756

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine (CID 115239457) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine is Cc1ccc(CN(C)CCC2CN(C)CCN2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine?
The InChIKey is HBSFOCOZNLXULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12-4-5-14(18-12)11-16(2)8-6-13-10-17(3)9-7-15-13/h4-5,13,15H,6-11H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine is sourced from PubChem (CID 115239457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).