N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine

C14H25N3S — CID 115255779

IUPACN-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
SMILESCc1ccsc1CCNCC(C)N1CCNCC1
InChIInChI=1S/C14H25N3S/c1-12-4-10-18-14(12)3-5-16-11-13(2)17-8-6-15-7-9-17/h4,10,13,15-16H,3,5-9,11H2,1-2H3
InChIKeyMHTZAIBNULNGGV-UHFFFAOYSA-N
MW267.44 g/mol
LogP1.48
Rot. Bonds6

About N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine

N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine (PubChem CID 115255779) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
PubChem CID115255779
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
SMILESCc1ccsc1CCNCC(C)N1CCNCC1
InChIInChI=1S/C14H25N3S/c1-12-4-10-18-14(12)3-5-16-11-13(2)17-8-6-15-7-9-17/h4,10,13,15-16H,3,5-9,11H2,1-2H3
InChIKeyMHTZAIBNULNGGV-UHFFFAOYSA-N
XLogP1.48
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255755
N-[2-(5-methylfuran-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255770
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 115255751
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 115255769
N-[2-(5-bromothiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255758
N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255765
N-(2-piperazin-1-ylpropyl)thiophen-2-amine
CID 115255603
3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one
CID 82511099
2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115258076
1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 115121696
1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
CID 171276189
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine (CID 115255779) is N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine is Cc1ccsc1CCNCC(C)N1CCNCC1.
What is the InChIKey of N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine?
The InChIKey is MHTZAIBNULNGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-12-4-10-18-14(12)3-5-16-11-13(2)17-8-6-15-7-9-17/h4,10,13,15-16H,3,5-9,11H2,1-2H3.
What are the key properties of N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine?
N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 115255779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).