1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine

C11H19ClN2S — CID 116950192

IUPAC1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine
SMILESCNC(CCC(C)(C)N)c1ccc(Cl)s1
InChIInChI=1S/C11H19ClN2S/c1-11(2,13)7-6-8(14-3)9-4-5-10(12)15-9/h4-5,8,14H,6-7,13H2,1-3H3
InChIKeyCBPZFVQRJWXASI-UHFFFAOYSA-N
MW246.81 g/mol
LogP3.18
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine

1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine (PubChem CID 116950192) has the molecular formula C11H19ClN2S and a molecular weight of 246.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine
PubChem CID116950192
Molecular FormulaC11H19ClN2S
Molecular Weight246.81 g/mol
Exact Mass246.10
IUPAC Name1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine
SMILESCNC(CCC(C)(C)N)c1ccc(Cl)s1
InChIInChI=1S/C11H19ClN2S/c1-11(2,13)7-6-8(14-3)9-4-5-10(12)15-9/h4-5,8,14H,6-7,13H2,1-3H3
InChIKeyCBPZFVQRJWXASI-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.81
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine
CID 115845349
1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030434
1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine
CID 105005210
1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43492048
1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950190
(5-chlorothiophen-2-yl)-(methylamino)methanethiol
CID 116954482
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028730
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472
1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine
CID 62679931
1-(5-chlorothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 115864488
2-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 115843084
N-[1-(5-chlorothiophen-2-yl)propyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115726040

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine (CID 116950192) is 1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine is CNC(CCC(C)(C)N)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine?
The InChIKey is CBPZFVQRJWXASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2S/c1-11(2,13)7-6-8(14-3)9-4-5-10(12)15-9/h4-5,8,14H,6-7,13H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine?
1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine has a molecular weight of 246.81 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine is sourced from PubChem (CID 116950192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).