1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine

C14H25N3O — CID 54860988

IUPAC1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCCN2CCN(C)CC2)o1
InChIInChI=1S/C14H25N3O/c1-12-4-5-14(18-12)13(2)15-6-7-17-10-8-16(3)9-11-17/h4-5,13,15H,6-11H2,1-3H3
InChIKeyGLMYFBRWJPFVQC-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.49
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine

1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine (PubChem CID 54860988) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
PubChem CID54860988
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCCN2CCN(C)CC2)o1
InChIInChI=1S/C14H25N3O/c1-12-4-5-14(18-12)13(2)15-6-7-17-10-8-16(3)9-11-17/h4-5,13,15H,6-11H2,1-3H3
InChIKeyGLMYFBRWJPFVQC-UHFFFAOYSA-N
XLogP1.49
TPSA31.65 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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60698146
1-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178917
N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204980
1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717489
N-[1-(5-methylfuran-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 43205640
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 94027153
1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861135
1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 54917373
N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43103195
(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine
CID 82891931
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine
CID 114449148
N-(2-ethoxyethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43403764

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine (CID 54860988) is 1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine is Cc1ccc(C(C)NCCN2CCN(C)CC2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The InChIKey is GLMYFBRWJPFVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12-4-5-14(18-12)13(2)15-6-7-17-10-8-16(3)9-11-17/h4-5,13,15H,6-11H2,1-3H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine is sourced from PubChem (CID 54860988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).