[1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine

C14H25N3S — CID 80505440

IUPAC[1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
SMILESCCc1ccc(C(C)N2CCN(C)CC2CN)s1
InChIInChI=1S/C14H25N3S/c1-4-13-5-6-14(18-13)11(2)17-8-7-16(3)10-12(17)9-15/h5-6,11-12H,4,7-10,15H2,1-3H3
InChIKeyLDVNCNKXCCWHJN-UHFFFAOYSA-N
MW267.44 g/mol
LogP1.95
Rot. Bonds4

About [1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine

[1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine (PubChem CID 80505440) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is [1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
PubChem CID80505440
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name[1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
SMILESCCc1ccc(C(C)N2CCN(C)CC2CN)s1
InChIInChI=1S/C14H25N3S/c1-4-13-5-6-14(18-13)11(2)17-8-7-16(3)10-12(17)9-15/h5-6,11-12H,4,7-10,15H2,1-3H3
InChIKeyLDVNCNKXCCWHJN-UHFFFAOYSA-N
XLogP1.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 62069492
[1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 113437671
[1-[1-(2,5-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504678
[1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504427
[1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504267
2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid
CID 66422373
[1-[1-(2,4-dimethylphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504410
[1-[1-(4-bromo-2-chlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 82778837
[1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505273
[1-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505448
1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80546975
[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine
CID 80504523

Frequently Asked Questions

What is the IUPAC name of [1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine (CID 80505440) is [1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine is CCc1ccc(C(C)N2CCN(C)CC2CN)s1.
What is the InChIKey of [1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine?
The InChIKey is LDVNCNKXCCWHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-13-5-6-14(18-13)11(2)17-8-7-16(3)10-12(17)9-15/h5-6,11-12H,4,7-10,15H2,1-3H3.
What are the key properties of [1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine?
[1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine has a molecular weight of 267.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80505440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).