1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine

C12H16ClNS — CID 115819887

IUPAC1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1sccc1Cl
InChIInChI=1S/C12H16ClNS/c1-3-5-6-11(14-8-4-2)12-10(13)7-9-15-12/h7,9,11,14H,4,6,8H2,1-2H3
InChIKeyAFJAZDFEMNTCCG-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.86
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine

1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine (PubChem CID 115819887) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine
PubChem CID115819887
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1sccc1Cl
InChIInChI=1S/C12H16ClNS/c1-3-5-6-11(14-8-4-2)12-10(13)7-9-15-12/h7,9,11,14H,4,6,8H2,1-2H3
InChIKeyAFJAZDFEMNTCCG-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.86
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-(3-chlorothiophen-2-yl)-5,5-dimethyl-N-propylhex-3-yn-1-amine
CID 114190699
1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine
CID 105290579
N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 107359767
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601
N-[1-(3-chlorothiophen-2-yl)-2-propylsulfanylethyl]propan-1-amine
CID 107359771
N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80645193
N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
CID 80529572
1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine
CID 105112636
1-(4-chloro-3-methylphenyl)-N-propylpent-3-yn-1-amine
CID 115819640
N-[1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 80529320
N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine
CID 107361897
N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 80529345

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine (CID 115819887) is 1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine is CC#CCC(NCCC)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine?
The InChIKey is AFJAZDFEMNTCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c1-3-5-6-11(14-8-4-2)12-10(13)7-9-15-12/h7,9,11,14H,4,6,8H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine?
1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine has a molecular weight of 241.79 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine is sourced from PubChem (CID 115819887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).