1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine

C9H15ClN2S — CID 130961429

IUPAC1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)C(N)c1sccc1Cl
InChIInChI=1S/C9H15ClN2S/c1-5(2)7(11)8(12)9-6(10)3-4-13-9/h3-5,7-8H,11-12H2,1-2H3
InChIKeyWTFAKQJRENPIII-UHFFFAOYSA-N
MW218.75 g/mol
LogP2.38
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine

1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine (PubChem CID 130961429) has the molecular formula C9H15ClN2S and a molecular weight of 218.75 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine
PubChem CID130961429
Molecular FormulaC9H15ClN2S
Molecular Weight218.75 g/mol
Exact Mass218.06
IUPAC Name1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)C(N)c1sccc1Cl
InChIInChI=1S/C9H15ClN2S/c1-5(2)7(11)8(12)9-6(10)3-4-13-9/h3-5,7-8H,11-12H2,1-2H3
InChIKeyWTFAKQJRENPIII-UHFFFAOYSA-N
XLogP2.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol
CID 130674240
1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309707
(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80529926
1-(3-chlorothiophen-2-yl)-2-methoxypentan-1-amine
CID 107360210
(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
CID 130714620
2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 80642659
1-(3-chlorothiophen-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 80529888
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
(3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102841415
(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 80645040
1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 107360216
bis(3-chlorothiophen-2-yl)methanol
CID 80642135

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine (CID 130961429) is 1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine is CC(C)C(N)C(N)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine?
The InChIKey is WTFAKQJRENPIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2S/c1-5(2)7(11)8(12)9-6(10)3-4-13-9/h3-5,7-8H,11-12H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine?
1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine has a molecular weight of 218.75 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 130961429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).