N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine

C16H29N3O — CID 114537889

IUPACN-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN2CC(C)N(C)C(C)C2)o1
InChIInChI=1S/C16H29N3O/c1-12(2)17-8-15-6-7-16(20-15)11-19-9-13(3)18(5)14(4)10-19/h6-7,12-14,17H,8-11H2,1-5H3
InChIKeyXOJJSTDAWMZMBD-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.30
Rot. Bonds5

About N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine

N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 114537889) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID114537889
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN2CC(C)N(C)C(C)C2)o1
InChIInChI=1S/C16H29N3O/c1-12(2)17-8-15-6-7-16(20-15)11-19-9-13(3)18(5)14(4)10-19/h6-7,12-14,17H,8-11H2,1-5H3
InChIKeyXOJJSTDAWMZMBD-UHFFFAOYSA-N
XLogP2.30
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (CID 114537889) is N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(CN2CC(C)N(C)C(C)C2)o1.
What is the InChIKey of N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is XOJJSTDAWMZMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)17-8-15-6-7-16(20-15)11-19-9-13(3)18(5)14(4)10-19/h6-7,12-14,17H,8-11H2,1-5H3.
What are the key properties of N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114537889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).