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

C14H25N3O — CID 62774641

IUPAC[2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine
SMILESCCC(C)N1CCN(Cc2occc2CN)CC1
InChIInChI=1S/C14H25N3O/c1-3-12(2)17-7-5-16(6-8-17)11-14-13(10-15)4-9-18-14/h4,9,12H,3,5-8,10-11,15H2,1-2H3
InChIKeyCLYSXSLVFPJEPI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.65
Rot. Bonds5

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

[2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine (PubChem CID 62774641) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine
PubChem CID62774641
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine
SMILESCCC(C)N1CCN(Cc2occc2CN)CC1
InChIInChI=1S/C14H25N3O/c1-3-12(2)17-7-5-16(6-8-17)11-14-13(10-15)4-9-18-14/h4,9,12H,3,5-8,10-11,15H2,1-2H3
InChIKeyCLYSXSLVFPJEPI-UHFFFAOYSA-N
XLogP1.65
TPSA45.64 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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62437744
[2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 62413261
[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 62772849
[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
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine
CID 79945485
[2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 103539631
1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
CID 2878740
1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine
CID 773054

Frequently Asked Questions

What is the IUPAC name of [2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine?
The IUPAC name of [2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine (CID 62774641) is [2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine?
The canonical SMILES for [2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine is CCC(C)N1CCN(Cc2occc2CN)CC1.
What is the InChIKey of [2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine?
The InChIKey is CLYSXSLVFPJEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-12(2)17-7-5-16(6-8-17)11-14-13(10-15)4-9-18-14/h4,9,12H,3,5-8,10-11,15H2,1-2H3.
What are the key properties of [2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine?
[2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62774641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).