1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine

C13H20ClNS — CID 104986628

IUPAC1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNS/c1-3-5-6-7-11(15-10-4-2)12-8-9-13(14)16-12/h3,8-9,11,15H,1,4-7,10H2,2H3
InChIKeyWUVGLVVWYNPTCI-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.80
Rot. Bonds8

About 1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine

1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine (PubChem CID 104986628) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine
PubChem CID104986628
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNS/c1-3-5-6-7-11(15-10-4-2)12-8-9-13(14)16-12/h3,8-9,11,15H,1,4-7,10H2,2H3
InChIKeyWUVGLVVWYNPTCI-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-propyloct-7-en-1-amine
CID 107011929
1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine
CID 104987378
1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine
CID 104987443
1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 105173533
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105173534
1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
CID 104987124
1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
CID 104986877
1-(1-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 65197711
1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine
CID 104986700
1-(5-chlorothiophen-2-yl)-N,2-dipropylpentan-1-amine
CID 82984586
N-[1-(5-chlorothiophen-2-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716203
1-(5-chlorothiophen-2-yl)-5,5-dimethyl-N-propylhex-3-yn-1-amine
CID 114190643

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine (CID 104986628) is 1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine?
The InChIKey is WUVGLVVWYNPTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-3-5-6-7-11(15-10-4-2)12-8-9-13(14)16-12/h3,8-9,11,15H,1,4-7,10H2,2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine?
1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine has a molecular weight of 257.83 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine is sourced from PubChem (CID 104986628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).