1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine

C15H27BrN2S — CID 79068987

IUPAC1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine
SMILESCCN(CC)C(C)(CC)C(Cc1ccc(Br)s1)NC
InChIInChI=1S/C15H27BrN2S/c1-6-15(4,18(7-2)8-3)13(17-5)11-12-9-10-14(16)19-12/h9-10,13,17H,6-8,11H2,1-5H3
InChIKeyKUBDMXZHAXSIHX-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.15
Rot. Bonds8

About 1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine

1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine (PubChem CID 79068987) has the molecular formula C15H27BrN2S and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine
PubChem CID79068987
Molecular FormulaC15H27BrN2S
Molecular Weight347.37 g/mol
Exact Mass346.11
IUPAC Name1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine
SMILESCCN(CC)C(C)(CC)C(Cc1ccc(Br)s1)NC
InChIInChI=1S/C15H27BrN2S/c1-6-15(4,18(7-2)8-3)13(17-5)11-12-9-10-14(16)19-12/h9-10,13,17H,6-8,11H2,1-5H3
InChIKeyKUBDMXZHAXSIHX-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azepan-1-yl)-1-(5-bromothiophen-2-yl)-N,3-dimethylbutan-2-amine
CID 79052539
1-(5-bromothiophen-2-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063659
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-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202918
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one
CID 79063919
3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine
CID 79068599
1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol
CID 63890851
3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516504
3-N,3-N-diethyl-2-N,3-dimethyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diamine
CID 79068516
1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
CID 103311834

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine (CID 79068987) is 1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine is CCN(CC)C(C)(CC)C(Cc1ccc(Br)s1)NC.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine?
The InChIKey is KUBDMXZHAXSIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN2S/c1-6-15(4,18(7-2)8-3)13(17-5)11-12-9-10-14(16)19-12/h9-10,13,17H,6-8,11H2,1-5H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine?
1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine has a molecular weight of 347.37 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine is sourced from PubChem (CID 79068987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).