N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine

C17H31N3O — CID 62774837

IUPACN-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCCC(C)N1CCN(Cc2ccc(CNC(C)C)o2)CC1
InChIInChI=1S/C17H31N3O/c1-5-15(4)20-10-8-19(9-11-20)13-17-7-6-16(21-17)12-18-14(2)3/h6-7,14-15,18H,5,8-13H2,1-4H3
InChIKeyAWHDRRZVKBIEHR-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.69
Rot. Bonds7

About N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine

N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 62774837) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID62774837
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCCC(C)N1CCN(Cc2ccc(CNC(C)C)o2)CC1
InChIInChI=1S/C17H31N3O/c1-5-15(4)20-10-8-19(9-11-20)13-17-7-6-16(21-17)12-18-14(2)3/h6-7,14-15,18H,5,8-13H2,1-4H3
InChIKeyAWHDRRZVKBIEHR-UHFFFAOYSA-N
XLogP2.69
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (CID 62774837) is N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is CCC(C)N1CCN(Cc2ccc(CNC(C)C)o2)CC1.
What is the InChIKey of N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is AWHDRRZVKBIEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-15(4)20-10-8-19(9-11-20)13-17-7-6-16(21-17)12-18-14(2)3/h6-7,14-15,18H,5,8-13H2,1-4H3.
What are the key properties of N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62774837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).