3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine

C17H32N2S — CID 79485910

IUPAC3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine
SMILESCCNC(CCN(C)C(C)Cc1cccs1)C(C)(C)C
InChIInChI=1S/C17H32N2S/c1-7-18-16(17(3,4)5)10-11-19(6)14(2)13-15-9-8-12-20-15/h8-9,12,14,16,18H,7,10-11,13H2,1-6H3
InChIKeyRKUFSDXGOVTKDH-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.03
Rot. Bonds8

About 3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine

3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine (PubChem CID 79485910) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is 3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine
PubChem CID79485910
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC Name3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine
SMILESCCNC(CCN(C)C(C)Cc1cccs1)C(C)(C)C
InChIInChI=1S/C17H32N2S/c1-7-18-16(17(3,4)5)10-11-19(6)14(2)13-15-9-8-12-20-15/h8-9,12,14,16,18H,7,10-11,13H2,1-6H3
InChIKeyRKUFSDXGOVTKDH-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine with MolForge

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Related Compounds

N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
CID 79486739
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
N-butyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493852
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
2,2-dimethyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propanehydrazide
CID 79630513
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315
2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid
CID 79494045
1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol
CID 79490115
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine?
The IUPAC name of 3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine (CID 79485910) is 3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine is CCNC(CCN(C)C(C)Cc1cccs1)C(C)(C)C.
What is the InChIKey of 3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine?
The InChIKey is RKUFSDXGOVTKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-7-18-16(17(3,4)5)10-11-19(6)14(2)13-15-9-8-12-20-15/h8-9,12,14,16,18H,7,10-11,13H2,1-6H3.
What are the key properties of 3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine?
3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine has a molecular weight of 296.52 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine is sourced from PubChem (CID 79485910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).