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

C16H29N3O — CID 63619652

IUPACN-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CCN(C)C(C)(C)C2)c(C)o1
InChIInChI=1S/C16H29N3O/c1-6-17-10-15-9-14(13(2)20-15)11-19-8-7-18(5)16(3,4)12-19/h9,17H,6-8,10-12H2,1-5H3
InChIKeyUNITXWKANSSDMP-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.22
Rot. Bonds5

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

N-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 63619652) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine
PubChem CID63619652
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CCN(C)C(C)(C)C2)c(C)o1
InChIInChI=1S/C16H29N3O/c1-6-17-10-15-9-14(13(2)20-15)11-19-8-7-18(5)16(3,4)12-19/h9,17H,6-8,10-12H2,1-5H3
InChIKeyUNITXWKANSSDMP-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62427660
N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-5-methylfuran-2-yl]methyl]ethanamine
CID 63025676
N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 102968207
N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906588
N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63621508
N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62411545
1-[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 55215650
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 55073687
N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62417443
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62425746
5-fluoro-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]benzoic acid
CID 63620210
N-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62431812

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine (CID 63619652) is N-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine is CCNCc1cc(CN2CCN(C)C(C)(C)C2)c(C)o1.
What is the InChIKey of N-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is UNITXWKANSSDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-17-10-15-9-14(13(2)20-15)11-19-8-7-18(5)16(3,4)12-19/h9,17H,6-8,10-12H2,1-5H3.
What are the key properties of N-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine?
N-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 279.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 63619652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).