N-propyl-1-thiophen-2-ylhept-5-yn-2-amine

C14H21NS — CID 104805257

IUPACN-propyl-1-thiophen-2-ylhept-5-yn-2-amine
SMILESCC#CCCC(Cc1cccs1)NCCC
InChIInChI=1S/C14H21NS/c1-3-5-6-8-13(15-10-4-2)12-14-9-7-11-16-14/h7,9,11,13,15H,4,6,8,10,12H2,1-2H3
InChIKeyWUHPCNYBAGFFIS-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.46
Rot. Bonds7

About N-propyl-1-thiophen-2-ylhept-5-yn-2-amine

N-propyl-1-thiophen-2-ylhept-5-yn-2-amine (PubChem CID 104805257) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-propyl-1-thiophen-2-ylhept-5-yn-2-amine.

Molecular Properties

Compound NameN-propyl-1-thiophen-2-ylhept-5-yn-2-amine
PubChem CID104805257
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-propyl-1-thiophen-2-ylhept-5-yn-2-amine
SMILESCC#CCCC(Cc1cccs1)NCCC
InChIInChI=1S/C14H21NS/c1-3-5-6-8-13(15-10-4-2)12-14-9-7-11-16-14/h7,9,11,13,15H,4,6,8,10,12H2,1-2H3
InChIKeyWUHPCNYBAGFFIS-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.46
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

1-phenyl-N-propylhept-5-yn-2-amine
CID 104804600
1-(4-methylphenyl)-N-propylhept-5-yn-2-amine
CID 104805231
1-(4-bromophenyl)-N-propylhept-5-yn-2-amine
CID 113455205
4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
CID 61064106
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
1-thiophen-2-ylhex-4-yn-2-ylhydrazine
CID 105211808
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
1-(4-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62602722
1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115860977
N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine
CID 61065868

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-thiophen-2-ylhept-5-yn-2-amine?
The IUPAC name of N-propyl-1-thiophen-2-ylhept-5-yn-2-amine (CID 104805257) is N-propyl-1-thiophen-2-ylhept-5-yn-2-amine.
What is the SMILES notation for N-propyl-1-thiophen-2-ylhept-5-yn-2-amine?
The canonical SMILES for N-propyl-1-thiophen-2-ylhept-5-yn-2-amine is CC#CCCC(Cc1cccs1)NCCC.
What is the InChIKey of N-propyl-1-thiophen-2-ylhept-5-yn-2-amine?
The InChIKey is WUHPCNYBAGFFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-3-5-6-8-13(15-10-4-2)12-14-9-7-11-16-14/h7,9,11,13,15H,4,6,8,10,12H2,1-2H3.
What are the key properties of N-propyl-1-thiophen-2-ylhept-5-yn-2-amine?
N-propyl-1-thiophen-2-ylhept-5-yn-2-amine has a molecular weight of 235.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-thiophen-2-ylhept-5-yn-2-amine is sourced from PubChem (CID 104805257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).