N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine

C17H32N2S — CID 62258544

IUPACN-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESCCC(CC)(CNC(C)(C)C)CN(C)Cc1ccsc1
InChIInChI=1S/C17H32N2S/c1-7-17(8-2,13-18-16(3,4)5)14-19(6)11-15-9-10-20-12-15/h9-10,12,18H,7-8,11,13-14H2,1-6H3
InChIKeyXRSRYVIOJGWDDM-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.37
Rot. Bonds8

About N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine

N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (PubChem CID 62258544) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
PubChem CID62258544
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC NameN-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESCCC(CC)(CNC(C)(C)C)CN(C)Cc1ccsc1
InChIInChI=1S/C17H32N2S/c1-7-17(8-2,13-18-16(3,4)5)14-19(6)11-15-9-10-20-12-15/h9-10,12,18H,7-8,11,13-14H2,1-6H3
InChIKeyXRSRYVIOJGWDDM-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 55051728
2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62422105
N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62260529
N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62259598
1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 66452759
2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 112723558
1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421944
N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine
CID 62724141
1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62487214
1-N-tert-butyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 62421750
2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392863
N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258731

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (CID 62258544) is N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is CCC(CC)(CNC(C)(C)C)CN(C)Cc1ccsc1.
What is the InChIKey of N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The InChIKey is XRSRYVIOJGWDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-7-17(8-2,13-18-16(3,4)5)14-19(6)11-15-9-10-20-12-15/h9-10,12,18H,7-8,11,13-14H2,1-6H3.
What are the key properties of N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine has a molecular weight of 296.52 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62258544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).