N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine

C10H13NS — CID 81408577

IUPACN-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine
SMILESC#CCCN[C@H](C)c1cccs1
InChIInChI=1S/C10H13NS/c1-3-4-7-11-9(2)10-6-5-8-12-10/h1,5-6,8-9,11H,4,7H2,2H3/t9-/m1/s1
InChIKeyPGDZBGZYBCKVJE-SECBINFHSA-N
MW179.29 g/mol
LogP2.42
Rot. Bonds4

About N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine

N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine (PubChem CID 81408577) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine
PubChem CID81408577
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC NameN-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine
SMILESC#CCCN[C@H](C)c1cccs1
InChIInChI=1S/C10H13NS/c1-3-4-7-11-9(2)10-6-5-8-12-10/h1,5-6,8-9,11H,4,7H2,2H3/t9-/m1/s1
InChIKeyPGDZBGZYBCKVJE-SECBINFHSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
(E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine
CID 115890198
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
(1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine
CID 102978164
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine?
The IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine (CID 81408577) is N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine.
What is the SMILES notation for N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine?
The canonical SMILES for N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine is C#CCCN[C@H](C)c1cccs1.
What is the InChIKey of N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine?
The InChIKey is PGDZBGZYBCKVJE-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NS/c1-3-4-7-11-9(2)10-6-5-8-12-10/h1,5-6,8-9,11H,4,7H2,2H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine?
N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine has a molecular weight of 179.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine is sourced from PubChem (CID 81408577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).