N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine

C15H28N2S — CID 80728083

IUPACN-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine
SMILESCCCCN(Cc1cc(CN)sc1C)C(C)CC
InChIInChI=1S/C15H28N2S/c1-5-7-8-17(12(3)6-2)11-14-9-15(10-16)18-13(14)4/h9,12H,5-8,10-11,16H2,1-4H3
InChIKeyIQIMTAMJJDRZMD-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.92
Rot. Bonds8

About N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine

N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine (PubChem CID 80728083) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine
PubChem CID80728083
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine
SMILESCCCCN(Cc1cc(CN)sc1C)C(C)CC
InChIInChI=1S/C15H28N2S/c1-5-7-8-17(12(3)6-2)11-14-9-15(10-16)18-13(14)4/h9,12H,5-8,10-11,16H2,1-4H3
InChIKeyIQIMTAMJJDRZMD-UHFFFAOYSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine 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-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine
CID 80728158
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine
CID 62412799
N-[(4-bromothiophen-2-yl)methyl]-N-butan-2-ylbutan-1-amine
CID 63458496
N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine
CID 80720308
4-bromo-3-[[butan-2-yl(butyl)amino]methyl]aniline
CID 113281319
[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine
CID 80729173
2-[[butan-2-yl(butyl)amino]methyl]-5-fluoroaniline
CID 64769385
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine
CID 80728454
5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 80733470
5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carboxylic acid
CID 80728058
4-[[butan-2-yl(butyl)amino]methyl]thiadiazol-5-amine
CID 62207086
N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine
CID 80727693

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine?
The IUPAC name of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine (CID 80728083) is N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine?
The canonical SMILES for N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine is CCCCN(Cc1cc(CN)sc1C)C(C)CC.
What is the InChIKey of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine?
The InChIKey is IQIMTAMJJDRZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-5-7-8-17(12(3)6-2)11-14-9-15(10-16)18-13(14)4/h9,12H,5-8,10-11,16H2,1-4H3.
What are the key properties of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine?
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine has a molecular weight of 268.47 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-butan-2-ylbutan-1-amine is sourced from PubChem (CID 80728083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).