N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine

C16H24N2S — CID 62433366

IUPACN-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine
SMILESCCC(CC)N(C)Cc1c(CN)sc2ccccc12
InChIInChI=1S/C16H24N2S/c1-4-12(5-2)18(3)11-14-13-8-6-7-9-15(13)19-16(14)10-17/h6-9,12H,4-5,10-11,17H2,1-3H3
InChIKeyIDIINFVOTNVRCZ-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.98
Rot. Bonds6

About N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine

N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine (PubChem CID 62433366) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine
PubChem CID62433366
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC NameN-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine
SMILESCCC(CC)N(C)Cc1c(CN)sc2ccccc12
InChIInChI=1S/C16H24N2S/c1-4-12(5-2)18(3)11-14-13-8-6-7-9-15(13)19-16(14)10-17/h6-9,12H,4-5,10-11,17H2,1-3H3
InChIKeyIDIINFVOTNVRCZ-UHFFFAOYSA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine?
The IUPAC name of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine (CID 62433366) is N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine?
The canonical SMILES for N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine is CCC(CC)N(C)Cc1c(CN)sc2ccccc12.
What is the InChIKey of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine?
The InChIKey is IDIINFVOTNVRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-4-12(5-2)18(3)11-14-13-8-6-7-9-15(13)19-16(14)10-17/h6-9,12H,4-5,10-11,17H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine?
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine has a molecular weight of 276.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine is sourced from PubChem (CID 62433366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).