1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine

C16H27BrN2S — CID 102839739

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCc1sc(C(CN)N(CC(C)C)C2CCCC2)cc1Br
InChIInChI=1S/C16H27BrN2S/c1-11(2)10-19(13-6-4-5-7-13)15(9-18)16-8-14(17)12(3)20-16/h8,11,13,15H,4-7,9-10,18H2,1-3H3
InChIKeyCRZBQTDSNTYTAK-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.72
Rot. Bonds6

About 1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine

1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 102839739) has the molecular formula C16H27BrN2S and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID102839739
Molecular FormulaC16H27BrN2S
Molecular Weight359.38 g/mol
Exact Mass358.11
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCc1sc(C(CN)N(CC(C)C)C2CCCC2)cc1Br
InChIInChI=1S/C16H27BrN2S/c1-11(2)10-19(13-6-4-5-7-13)15(9-18)16-8-14(17)12(3)20-16/h8,11,13,15H,4-7,9-10,18H2,1-3H3
InChIKeyCRZBQTDSNTYTAK-UHFFFAOYSA-N
XLogP4.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine
CID 102838731
1-(4-bromo-5-methylthiophen-2-yl)-N,N-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869560
N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 106528739
N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62085573
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002447
1-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 102839682
3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene
CID 102835800
N-cyclopropyl-1-(3,5-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55001719
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 102839988
1-(4-bromo-5-methylthiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine
CID 102838940
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839817

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 102839739) is 1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine is Cc1sc(C(CN)N(CC(C)C)C2CCCC2)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is CRZBQTDSNTYTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2S/c1-11(2)10-19(13-6-4-5-7-13)15(9-18)16-8-14(17)12(3)20-16/h8,11,13,15H,4-7,9-10,18H2,1-3H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine?
1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 359.38 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 102839739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).