N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine

C15H20N2S — CID 102794806

IUPACN-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NCc1cncc(C)c1)c1cccs1
InChIInChI=1S/C15H20N2S/c1-3-5-14(15-6-4-7-18-15)17-11-13-8-12(2)9-16-10-13/h4,6-10,14,17H,3,5,11H2,1-2H3
InChIKeyBJQCSRYZOZCQBC-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.08
Rot. Bonds6

About N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine

N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine (PubChem CID 102794806) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine
PubChem CID102794806
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NCc1cncc(C)c1)c1cccs1
InChIInChI=1S/C15H20N2S/c1-3-5-14(15-6-4-7-18-15)17-11-13-8-12(2)9-16-10-13/h4,6-10,14,17H,3,5,11H2,1-2H3
InChIKeyBJQCSRYZOZCQBC-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 63454808
N-[(4-bromo-3-fluorophenyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 81436822
2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol
CID 64830398
1-thiophen-2-yl-N-[(2,4,5-trifluorophenyl)methyl]butan-1-amine
CID 103792753
N-[(3-methyltriazol-4-yl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 115682482
5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
CID 66279967
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 54962828
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
CID 105100649
2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 54911205

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine (CID 102794806) is N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine is CCCC(NCc1cncc(C)c1)c1cccs1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine?
The InChIKey is BJQCSRYZOZCQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-5-14(15-6-4-7-18-15)17-11-13-8-12(2)9-16-10-13/h4,6-10,14,17H,3,5,11H2,1-2H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine?
N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 102794806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).