N,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine

C14H21NS — CID 102294346

IUPACN,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine
SMILESCCCC(C#Cc1ccsc1)N(CC)CC
InChIInChI=1S/C14H21NS/c1-4-7-14(15(5-2)6-3)9-8-13-10-11-16-12-13/h10-12,14H,4-7H2,1-3H3
InChIKeyNLGKOEVIUDNSGC-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.61
Rot. Bonds5

About N,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine

N,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine (PubChem CID 102294346) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine
PubChem CID102294346
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine
SMILESCCCC(C#Cc1ccsc1)N(CC)CC
InChIInChI=1S/C14H21NS/c1-4-7-14(15(5-2)6-3)9-8-13-10-11-16-12-13/h10-12,14H,4-7H2,1-3H3
InChIKeyNLGKOEVIUDNSGC-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine?
The IUPAC name of N,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine (CID 102294346) is N,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine.
What is the SMILES notation for N,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine?
The canonical SMILES for N,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine is CCCC(C#Cc1ccsc1)N(CC)CC.
What is the InChIKey of N,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine?
The InChIKey is NLGKOEVIUDNSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-4-7-14(15(5-2)6-3)9-8-13-10-11-16-12-13/h10-12,14H,4-7H2,1-3H3.
What are the key properties of N,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine?
N,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine has a molecular weight of 235.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-thiophen-3-ylhex-1-yn-3-amine is sourced from PubChem (CID 102294346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).