N-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine

C14H26N2S — CID 746494

IUPACN-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine
SMILESCc1sc(C)c(CNC(C)C)c1CNC(C)C
InChIInChI=1S/C14H26N2S/c1-9(2)15-7-13-11(5)17-12(6)14(13)8-16-10(3)4/h9-10,15-16H,7-8H2,1-6H3
InChIKeyZSFBCWPBDIIUQI-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.36
Rot. Bonds6

About N-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine

N-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine (PubChem CID 746494) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine
PubChem CID746494
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine
SMILESCc1sc(C)c(CNC(C)C)c1CNC(C)C
InChIInChI=1S/C14H26N2S/c1-9(2)15-7-13-11(5)17-12(6)14(13)8-16-10(3)4/h9-10,15-16H,7-8H2,1-6H3
InChIKeyZSFBCWPBDIIUQI-UHFFFAOYSA-N
XLogP3.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-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-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine (CID 746494) is N-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine is Cc1sc(C)c(CNC(C)C)c1CNC(C)C.
What is the InChIKey of N-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine?
The InChIKey is ZSFBCWPBDIIUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-9(2)15-7-13-11(5)17-12(6)14(13)8-16-10(3)4/h9-10,15-16H,7-8H2,1-6H3.
What are the key properties of N-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine?
N-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine has a molecular weight of 254.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-dimethyl-4-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 746494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).