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

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

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Related Compounds

N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63159975
5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 62772481
N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63627373
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114537889
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62434242
N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62411193
1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62774841
2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62423437
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
CID 2878740
N-[[5-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62459300
[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 62772849

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).