1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

C14H25BrN2S — CID 107353919

IUPAC1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CNC(C)c1cc(Br)cs1)N(C)C
InChIInChI=1S/C14H25BrN2S/c1-10(2)6-13(17(4)5)8-16-11(3)14-7-12(15)9-18-14/h7,9-11,13,16H,6,8H2,1-5H3
InChIKeyHAOAJPSMVVIHQB-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.14
Rot. Bonds7

About 1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 107353919) has the molecular formula C14H25BrN2S and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID107353919
Molecular FormulaC14H25BrN2S
Molecular Weight333.34 g/mol
Exact Mass332.09
IUPAC Name1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CNC(C)c1cc(Br)cs1)N(C)C
InChIInChI=1S/C14H25BrN2S/c1-10(2)6-13(17(4)5)8-16-11(3)14-7-12(15)9-18-14/h7,9-11,13,16H,6,8H2,1-5H3
InChIKeyHAOAJPSMVVIHQB-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine with MolForge

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Related Compounds

3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 107167314
4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 107167179
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
N-[1-(4-bromothiophen-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107167150
5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol
CID 107705372
2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine
CID 64993003
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43099857
2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
CID 115714105
3-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 107167370
2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
CID 116857267

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 107353919) is 1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CNC(C)c1cc(Br)cs1)N(C)C.
What is the InChIKey of 1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is HAOAJPSMVVIHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2S/c1-10(2)6-13(17(4)5)8-16-11(3)14-7-12(15)9-18-14/h7,9-11,13,16H,6,8H2,1-5H3.
What are the key properties of 1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 333.34 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 107353919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).