N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine

C15H27BrN2S — CID 62260009

IUPACN-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)(C)CN(C)Cc1csc(Br)c1
InChIInChI=1S/C15H27BrN2S/c1-12(2)7-17-10-15(3,4)11-18(5)8-13-6-14(16)19-9-13/h6,9,12,17H,7-8,10-11H2,1-5H3
InChIKeyJLQPGLQWZGQUBM-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.21
Rot. Bonds8

About N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine

N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62260009) has the molecular formula C15H27BrN2S and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62260009
Molecular FormulaC15H27BrN2S
Molecular Weight347.37 g/mol
Exact Mass346.11
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)(C)CN(C)Cc1csc(Br)c1
InChIInChI=1S/C15H27BrN2S/c1-12(2)7-17-10-15(3,4)11-18(5)8-13-6-14(16)19-9-13/h6,9,12,17H,7-8,10-11H2,1-5H3
InChIKeyJLQPGLQWZGQUBM-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-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

N'-[(5-bromothiophen-3-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928808
N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62270448
4-[(5-bromothiophen-3-yl)methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66452184
N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine
CID 62462074
N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260624
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556552
2-N-[(5-bromothiophen-3-yl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62461722
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol
CID 115919436
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62461899
N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62256088
N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62557186
N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62260869

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 62260009) is N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine is CC(C)CNCC(C)(C)CN(C)Cc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is JLQPGLQWZGQUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN2S/c1-12(2)7-17-10-15(3,4)11-18(5)8-13-6-14(16)19-9-13/h6,9,12,17H,7-8,10-11H2,1-5H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 347.37 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62260009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).