N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine

C14H15NS — CID 106224711

IUPACN-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine
SMILESC#CC(CC)NCc1csc2ccccc12
InChIInChI=1S/C14H15NS/c1-3-12(4-2)15-9-11-10-16-14-8-6-5-7-13(11)14/h1,5-8,10,12,15H,4,9H2,2H3
InChIKeyAEBXOQJHCYNTIS-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.40
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine

N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine (PubChem CID 106224711) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine
PubChem CID106224711
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC NameN-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine
SMILESC#CC(CC)NCc1csc2ccccc12
InChIInChI=1S/C14H15NS/c1-3-12(4-2)15-9-11-10-16-14-8-6-5-7-13(11)14/h1,5-8,10,12,15H,4,9H2,2H3
InChIKeyAEBXOQJHCYNTIS-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)hexan-3-amine
CID 62698113
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
N-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 60704533
N-(1-benzothiophen-3-ylmethyl)-1-chloropropan-2-amine
CID 65025851
N-pent-1-yn-3-yl-1-benzothiophene-3-carboxamide
CID 103578886
N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 62694134
2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 62697930
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944902
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011
N-(1-benzothiophen-3-ylmethyl)pent-4-en-2-amine
CID 115633123

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine (CID 106224711) is N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine is C#CC(CC)NCc1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine?
The InChIKey is AEBXOQJHCYNTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-3-12(4-2)15-9-11-10-16-14-8-6-5-7-13(11)14/h1,5-8,10,12,15H,4,9H2,2H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine?
N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine has a molecular weight of 229.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine is sourced from PubChem (CID 106224711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).