N-[(5-butylthiophen-3-yl)methyl]ethanamine

C11H19NS — CID 114748838

IUPACN-[(5-butylthiophen-3-yl)methyl]ethanamine
SMILESCCCCc1cc(CNCC)cs1
InChIInChI=1S/C11H19NS/c1-3-5-6-11-7-10(9-13-11)8-12-4-2/h7,9,12H,3-6,8H2,1-2H3
InChIKeyKVWAIYWKEFJYKZ-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.20
Rot. Bonds6

About N-[(5-butylthiophen-3-yl)methyl]ethanamine

N-[(5-butylthiophen-3-yl)methyl]ethanamine (PubChem CID 114748838) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-[(5-butylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-butylthiophen-3-yl)methyl]ethanamine
PubChem CID114748838
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-[(5-butylthiophen-3-yl)methyl]ethanamine
SMILESCCCCc1cc(CNCC)cs1
InChIInChI=1S/C11H19NS/c1-3-5-6-11-7-10(9-13-11)8-12-4-2/h7,9,12H,3-6,8H2,1-2H3
InChIKeyKVWAIYWKEFJYKZ-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-butylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-butylthiophen-3-yl)methyl]ethanamine (CID 114748838) is N-[(5-butylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-butylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-butylthiophen-3-yl)methyl]ethanamine is CCCCc1cc(CNCC)cs1.
What is the InChIKey of N-[(5-butylthiophen-3-yl)methyl]ethanamine?
The InChIKey is KVWAIYWKEFJYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-3-5-6-11-7-10(9-13-11)8-12-4-2/h7,9,12H,3-6,8H2,1-2H3.
What are the key properties of N-[(5-butylthiophen-3-yl)methyl]ethanamine?
N-[(5-butylthiophen-3-yl)methyl]ethanamine has a molecular weight of 197.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-butylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 114748838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).