N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine

C17H26N2S2 — CID 107556484

IUPACN-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(Cc2cccs2)C(C)C)s1
InChIInChI=1S/C17H26N2S2/c1-13(2)18-10-15-7-8-17(21-15)12-19(14(3)4)11-16-6-5-9-20-16/h5-9,13-14,18H,10-12H2,1-4H3
InChIKeyZBTDFCPJQADJJX-UHFFFAOYSA-N
MW322.54 g/mol
LogP4.72
Rot. Bonds8

About N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107556484) has the molecular formula C17H26N2S2 and a molecular weight of 322.54 g/mol. Its IUPAC name is N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107556484
Molecular FormulaC17H26N2S2
Molecular Weight322.54 g/mol
Exact Mass322.15
IUPAC NameN-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(Cc2cccs2)C(C)C)s1
InChIInChI=1S/C17H26N2S2/c1-13(2)18-10-15-7-8-17(21-15)12-19(14(3)4)11-16-6-5-9-20-16/h5-9,13-14,18H,10-12H2,1-4H3
InChIKeyZBTDFCPJQADJJX-UHFFFAOYSA-N
XLogP4.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 107556485
N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555623
2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 63492986
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62847316
N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62558541
N-[[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62420414
2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384073
N-[[5-[[(4-bromophenyl)methyl-methylamino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555405
N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62420411
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61453411
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine (CID 107556484) is N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(CN(Cc2cccs2)C(C)C)s1.
What is the InChIKey of N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is ZBTDFCPJQADJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S2/c1-13(2)18-10-15-7-8-17(21-15)12-19(14(3)4)11-16-6-5-9-20-16/h5-9,13-14,18H,10-12H2,1-4H3.
What are the key properties of N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 322.54 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107556484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).