N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine

C13H23N3O — CID 115239392

IUPACN,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine
SMILESCc1ccc(N(C)CCC2CN(C)CCN2)o1
InChIInChI=1S/C13H23N3O/c1-11-4-5-13(17-11)16(3)8-6-12-10-15(2)9-7-14-12/h4-5,12,14H,6-10H2,1-3H3
InChIKeyJGWHZIQNUVNGDN-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.32
Rot. Bonds4

About N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine

N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine (PubChem CID 115239392) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine
PubChem CID115239392
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine
SMILESCc1ccc(N(C)CCC2CN(C)CCN2)o1
InChIInChI=1S/C13H23N3O/c1-11-4-5-13(17-11)16(3)8-6-12-10-15(2)9-7-14-12/h4-5,12,14H,6-10H2,1-3H3
InChIKeyJGWHZIQNUVNGDN-UHFFFAOYSA-N
XLogP1.32
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239457
4-fluoro-N,3-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]aniline
CID 115239371
N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine
CID 115239388
1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine
CID 116941714
N,N-diethyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 83619171
N-methyl-2-(4-methylpiperazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115239455
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
N,5-dimethyl-N-(piperazin-1-ylmethyl)furan-2-amine
CID 115229932
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
CID 117029756
3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine
CID 64952375
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine
CID 116928299

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine?
The IUPAC name of N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine (CID 115239392) is N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine.
What is the SMILES notation for N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine?
The canonical SMILES for N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine is Cc1ccc(N(C)CCC2CN(C)CCN2)o1.
What is the InChIKey of N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine?
The InChIKey is JGWHZIQNUVNGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11-4-5-13(17-11)16(3)8-6-12-10-15(2)9-7-14-12/h4-5,12,14H,6-10H2,1-3H3.
What are the key properties of N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine?
N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-(4-methylpiperazin-2-yl)ethyl]furan-2-amine is sourced from PubChem (CID 115239392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).