N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine

C18H26N2S — CID 79489657

IUPACN',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
SMILESCC(Cc1cccs1)N(C)CC(C)(CN)c1ccccc1
InChIInChI=1S/C18H26N2S/c1-15(12-17-10-7-11-21-17)20(3)14-18(2,13-19)16-8-5-4-6-9-16/h4-11,15H,12-14,19H2,1-3H3
InChIKeyCSLTYKOWQNKNCN-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.53
Rot. Bonds7

About N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine

N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine (PubChem CID 79489657) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
PubChem CID79489657
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
SMILESCC(Cc1cccs1)N(C)CC(C)(CN)c1ccccc1
InChIInChI=1S/C18H26N2S/c1-15(12-17-10-7-11-21-17)20(3)14-18(2,13-19)16-8-5-4-6-9-16/h4-11,15H,12-14,19H2,1-3H3
InChIKeyCSLTYKOWQNKNCN-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal
CID 79489421
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)ethane-1,2-diamine
CID 79470909
2,2-dimethyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propanehydrazide
CID 79630513
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 114867817
3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine
CID 63085723
4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
CID 79486739
3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79475884
2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine
CID 79475762

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine (CID 79489657) is N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine is CC(Cc1cccs1)N(C)CC(C)(CN)c1ccccc1.
What is the InChIKey of N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine?
The InChIKey is CSLTYKOWQNKNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-15(12-17-10-7-11-21-17)20(3)14-18(2,13-19)16-8-5-4-6-9-16/h4-11,15H,12-14,19H2,1-3H3.
What are the key properties of N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine?
N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine has a molecular weight of 302.49 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 79489657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).