1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine

C11H17Cl2NS — CID 107968221

IUPAC1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCC(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H17Cl2NS/c1-11(2,3)5-4-8(14)7-6-9(12)15-10(7)13/h6,8H,4-5,14H2,1-3H3
InChIKeyDSWVZIVICXTZOE-UHFFFAOYSA-N
MW266.24 g/mol
LogP4.88
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine

1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine (PubChem CID 107968221) has the molecular formula C11H17Cl2NS and a molecular weight of 266.24 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine
PubChem CID107968221
Molecular FormulaC11H17Cl2NS
Molecular Weight266.24 g/mol
Exact Mass265.05
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCC(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H17Cl2NS/c1-11(2,3)5-4-8(14)7-6-9(12)15-10(7)13/h6,8H,4-5,14H2,1-3H3
InChIKeyDSWVZIVICXTZOE-UHFFFAOYSA-N
XLogP4.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine
CID 107969416
[1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentyl]hydrazine
CID 107970213
(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine
CID 82758613
1-(2,5-dichlorothiophen-3-yl)octan-1-amine
CID 43167354
5-amino-5-(2,5-dichlorothiophen-3-yl)pentanamide
CID 60860350
1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine
CID 114874213
1-(5-bromo-2-chlorophenyl)-4,4-dimethylpentan-1-amine
CID 115849776
[1-(2,5-dichlorothiophen-3-yl)-2,2-dimethylpropyl]hydrazine
CID 107970279
4,4-dimethyl-1-(2,4,5-trimethoxyphenyl)pentan-1-amine
CID 115849727
(2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine
CID 130553124
3-(1-bromo-3,4,4-trimethylpentyl)-2,5-dichlorothiophene
CID 63834018
1-(2-bromo-4-methylphenyl)-4,4-dimethylpentan-1-amine
CID 115850161

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine (CID 107968221) is 1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine is CC(C)(C)CCC(N)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine?
The InChIKey is DSWVZIVICXTZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2NS/c1-11(2,3)5-4-8(14)7-6-9(12)15-10(7)13/h6,8H,4-5,14H2,1-3H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine?
1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine has a molecular weight of 266.24 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 107968221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).