1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine

C15H27ClN2S — CID 79062445

IUPAC1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
SMILESCCN(CC)C(CC)(CC)C(N)Cc1ccc(Cl)s1
InChIInChI=1S/C15H27ClN2S/c1-5-15(6-2,18(7-3)8-4)13(17)11-12-9-10-14(16)19-12/h9-10,13H,5-8,11,17H2,1-4H3
InChIKeyJPDKQWXTMPOSIA-UHFFFAOYSA-N
MW302.91 g/mol
LogP4.17
Rot. Bonds8

About 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine

1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine (PubChem CID 79062445) has the molecular formula C15H27ClN2S and a molecular weight of 302.91 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
PubChem CID79062445
Molecular FormulaC15H27ClN2S
Molecular Weight302.91 g/mol
Exact Mass302.16
IUPAC Name1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
SMILESCCN(CC)C(CC)(CC)C(N)Cc1ccc(Cl)s1
InChIInChI=1S/C15H27ClN2S/c1-5-15(6-2,18(7-3)8-4)13(17)11-12-9-10-14(16)19-12/h9-10,13H,5-8,11,17H2,1-4H3
InChIKeyJPDKQWXTMPOSIA-UHFFFAOYSA-N
XLogP4.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.91
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
CID 116758497
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-ol
CID 79063462
1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 102857727
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
1-(3-chloro-4-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 103040222
3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine
CID 79060124
1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol
CID 79061202
1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
CID 63891076
2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine
CID 55095727
1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 62607560
1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79064420
ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 62962765

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine (CID 79062445) is 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine is CCN(CC)C(CC)(CC)C(N)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine?
The InChIKey is JPDKQWXTMPOSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN2S/c1-5-15(6-2,18(7-3)8-4)13(17)11-12-9-10-14(16)19-12/h9-10,13H,5-8,11,17H2,1-4H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine?
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine has a molecular weight of 302.91 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine is sourced from PubChem (CID 79062445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).