2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine

C13H23N3O — CID 63619827

IUPAC2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESCC1CN(CCNCc2ccco2)CCN1C
InChIInChI=1S/C13H23N3O/c1-12-11-16(8-7-15(12)2)6-5-14-10-13-4-3-9-17-13/h3-4,9,12,14H,5-8,10-11H2,1-2H3
InChIKeyNCUIFCGCGBUJIF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.01
Rot. Bonds5

About 2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine

2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 63619827) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine
PubChem CID63619827
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESCC1CN(CCNCc2ccco2)CCN1C
InChIInChI=1S/C13H23N3O/c1-12-11-16(8-7-15(12)2)6-5-14-10-13-4-3-9-17-13/h3-4,9,12,14H,5-8,10-11H2,1-2H3
InChIKeyNCUIFCGCGBUJIF-UHFFFAOYSA-N
XLogP1.01
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.01
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

2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 60958081
2-(4-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 62556363
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 83221323
2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63163129
2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 82889367
N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 63504153
2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63218433
1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
CID 110929404
N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665299
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 63609661
N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62557113

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine (CID 63619827) is 2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine is CC1CN(CCNCc2ccco2)CCN1C.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is NCUIFCGCGBUJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12-11-16(8-7-15(12)2)6-5-14-10-13-4-3-9-17-13/h3-4,9,12,14H,5-8,10-11H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine?
2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 63619827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).