[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine

C11H19N3O — CID 62437744

IUPAC[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine
SMILESCN1CCN(Cc2occc2CN)CC1
InChIInChI=1S/C11H19N3O/c1-13-3-5-14(6-4-13)9-11-10(8-12)2-7-15-11/h2,7H,3-6,8-9,12H2,1H3
InChIKeyPUQFJPNIWMMLHU-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.49
Rot. Bonds3

About [2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine

[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine (PubChem CID 62437744) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine
PubChem CID62437744
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine
SMILESCN1CCN(Cc2occc2CN)CC1
InChIInChI=1S/C11H19N3O/c1-13-3-5-14(6-4-13)9-11-10(8-12)2-7-15-11/h2,7H,3-6,8-9,12H2,1H3
InChIKeyPUQFJPNIWMMLHU-UHFFFAOYSA-N
XLogP0.49
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62774641
[2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 62413261
N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62439241
[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
CID 62423499
[2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine
CID 65286568
[2-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-3-yl]methanamine
CID 62930301
[2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
CID 62424428
N-[[2-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62417291
N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62424649
[2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 103539631
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine
CID 79945485
2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889758

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine?
The IUPAC name of [2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine (CID 62437744) is [2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine?
The canonical SMILES for [2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine is CN1CCN(Cc2occc2CN)CC1.
What is the InChIKey of [2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine?
The InChIKey is PUQFJPNIWMMLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13-3-5-14(6-4-13)9-11-10(8-12)2-7-15-11/h2,7H,3-6,8-9,12H2,1H3.
What are the key properties of [2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine?
[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62437744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).