6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine

C14H23Cl2NS — CID 65306195

IUPAC6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine
SMILESCC(C)CNCCCCCCc1cc(Cl)sc1Cl
InChIInChI=1S/C14H23Cl2NS/c1-11(2)10-17-8-6-4-3-5-7-12-9-13(15)18-14(12)16/h9,11,17H,3-8,10H2,1-2H3
InChIKeyMWJNHUDKVBVXRS-UHFFFAOYSA-N
MW308.32 g/mol
LogP5.40
Rot. Bonds9

About 6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine

6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine (PubChem CID 65306195) has the molecular formula C14H23Cl2NS and a molecular weight of 308.32 g/mol. Its IUPAC name is 6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine
PubChem CID65306195
Molecular FormulaC14H23Cl2NS
Molecular Weight308.32 g/mol
Exact Mass307.09
IUPAC Name6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine
SMILESCC(C)CNCCCCCCc1cc(Cl)sc1Cl
InChIInChI=1S/C14H23Cl2NS/c1-11(2)10-17-8-6-4-3-5-7-12-9-13(15)18-14(12)16/h9,11,17H,3-8,10H2,1-2H3
InChIKeyMWJNHUDKVBVXRS-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.32
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine
CID 65305952
4-(5-chloro-2-fluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 114866777
N'-[(2,5-dichlorothiophen-3-yl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 114021220
N-(2-methylpropyl)-4-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350340
N-(2-methylpropyl)-6-(2,3,4,6-tetrachlorophenyl)hexan-1-amine
CID 105350446
4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65303527
6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine
CID 81158945
N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine
CID 64504930
6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65306559
4-(3-chloro-2-fluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 114489002
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308860

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine (CID 65306195) is 6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine is CC(C)CNCCCCCCc1cc(Cl)sc1Cl.
What is the InChIKey of 6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is MWJNHUDKVBVXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Cl2NS/c1-11(2)10-17-8-6-4-3-5-7-12-9-13(15)18-14(12)16/h9,11,17H,3-8,10H2,1-2H3.
What are the key properties of 6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine?
6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 308.32 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 65306195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).