2-butylthiophene;methanamine

C9H17NS — CID 143080300

IUPAC2-butylthiophene;methanamine
SMILESCCCCc1cccs1.CN
InChIInChI=1S/C8H12S.CH5N/c1-2-3-5-8-6-4-7-9-8;1-2/h4,6-7H,2-3,5H2,1H3;2H2,1H3
InChIKeyBNGKRVVMTSVCEB-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.67
Rot. Bonds3

About 2-butylthiophene;methanamine

2-butylthiophene;methanamine (PubChem CID 143080300) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-butylthiophene;methanamine.

Molecular Properties

Compound Name2-butylthiophene;methanamine
PubChem CID143080300
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-butylthiophene;methanamine
SMILESCCCCc1cccs1.CN
InChIInChI=1S/C8H12S.CH5N/c1-2-3-5-8-6-4-7-9-8;1-2/h4,6-7H,2-3,5H2,1H3;2H2,1H3
InChIKeyBNGKRVVMTSVCEB-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-pentylthiophene
CID 143883800
methane;2-undecylthiophene
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pentane;2-thiophen-2-ylethanol
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N-butyl-4-thiophen-2-ylbutan-1-amine
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2-(5-pentoxypentyl)thiophene
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CID 174429682
CID 174429682
N-butyl-5-thiophen-2-ylpentan-1-amine
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CID 105298385
2-(3,3-dimethylheptyl)thiophene
CID 57210788
10-thiophen-2-yldecan-1-amine
CID 22115195
7-thiophen-2-ylheptan-3-amine
CID 64505571
8-thiophen-2-yloctan-4-ol
CID 64516293

Frequently Asked Questions

What is the IUPAC name of 2-butylthiophene;methanamine?
The IUPAC name of 2-butylthiophene;methanamine (CID 143080300) is 2-butylthiophene;methanamine.
What is the SMILES notation for 2-butylthiophene;methanamine?
The canonical SMILES for 2-butylthiophene;methanamine is CCCCc1cccs1.CN.
What is the InChIKey of 2-butylthiophene;methanamine?
The InChIKey is BNGKRVVMTSVCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S.CH5N/c1-2-3-5-8-6-4-7-9-8;1-2/h4,6-7H,2-3,5H2,1H3;2H2,1H3.
What are the key properties of 2-butylthiophene;methanamine?
2-butylthiophene;methanamine has a molecular weight of 171.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylthiophene;methanamine is sourced from PubChem (CID 143080300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).