1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine

C14H22N2S — CID 114462399

IUPAC1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(c1ccsc1)N1CC=C(C)CC1
InChIInChI=1S/C14H22N2S/c1-3-13(15)14(12-6-9-17-10-12)16-7-4-11(2)5-8-16/h4,6,9-10,13-14H,3,5,7-8,15H2,1-2H3
InChIKeyBSZCYNMJEHKLPP-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.18
Rot. Bonds4

About 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine

1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine (PubChem CID 114462399) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine
PubChem CID114462399
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(c1ccsc1)N1CC=C(C)CC1
InChIInChI=1S/C14H22N2S/c1-3-13(15)14(12-6-9-17-10-12)16-7-4-11(2)5-8-16/h4,6,9-10,13-14H,3,5,7-8,15H2,1-2H3
InChIKeyBSZCYNMJEHKLPP-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine (CID 114462399) is 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine is CCC(N)C(c1ccsc1)N1CC=C(C)CC1.
What is the InChIKey of 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine?
The InChIKey is BSZCYNMJEHKLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-3-13(15)14(12-6-9-17-10-12)16-7-4-11(2)5-8-16/h4,6,9-10,13-14H,3,5,7-8,15H2,1-2H3.
What are the key properties of 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine?
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine has a molecular weight of 250.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 114462399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).