1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine

C17H32N2S — CID 79486169

IUPAC1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine
SMILESCC(C)C(CNC(C)(C)C)N(C)C(C)Cc1cccs1
InChIInChI=1S/C17H32N2S/c1-13(2)16(12-18-17(4,5)6)19(7)14(3)11-15-9-8-10-20-15/h8-10,13-14,16,18H,11-12H2,1-7H3
InChIKeyRPIVBAVNJGUQGI-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.02
Rot. Bonds7

About 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine

1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine (PubChem CID 79486169) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine
PubChem CID79486169
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC Name1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine
SMILESCC(C)C(CNC(C)(C)C)N(C)C(C)Cc1cccs1
InChIInChI=1S/C17H32N2S/c1-13(2)16(12-18-17(4,5)6)19(7)14(3)11-15-9-8-10-20-15/h8-10,13-14,16,18H,11-12H2,1-7H3
InChIKeyRPIVBAVNJGUQGI-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine with MolForge

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Related Compounds

1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 79409024
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 83054060
4-methoxy-2-N,4-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 106675761
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79475884
1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62463060
N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493768
1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79494868
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
3-N-methyl-1-N-propyl-3-N-(1-thiophen-2-ylpropan-2-yl)butane-1,3-diamine
CID 79493690
3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine
CID 79485910
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine (CID 79486169) is 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine is CC(C)C(CNC(C)(C)C)N(C)C(C)Cc1cccs1.
What is the InChIKey of 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine?
The InChIKey is RPIVBAVNJGUQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-13(2)16(12-18-17(4,5)6)19(7)14(3)11-15-9-8-10-20-15/h8-10,13-14,16,18H,11-12H2,1-7H3.
What are the key properties of 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine?
1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine has a molecular weight of 296.52 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine is sourced from PubChem (CID 79486169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).