2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine

C18H34N2S — CID 114867817

IUPAC2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
SMILESCC(C)CC(CN)(CC(C)C)N(C)C(C)Cc1cccs1
InChIInChI=1S/C18H34N2S/c1-14(2)11-18(13-19,12-15(3)4)20(6)16(5)10-17-8-7-9-21-17/h7-9,14-16H,10-13,19H2,1-6H3
InChIKeyXHSPANXKLPJSPU-UHFFFAOYSA-N
MW310.55 g/mol
LogP4.40
Rot. Bonds9

About 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine

2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine (PubChem CID 114867817) has the molecular formula C18H34N2S and a molecular weight of 310.55 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
PubChem CID114867817
Molecular FormulaC18H34N2S
Molecular Weight310.55 g/mol
Exact Mass310.24
IUPAC Name2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
SMILESCC(C)CC(CN)(CC(C)C)N(C)C(C)Cc1cccs1
InChIInChI=1S/C18H34N2S/c1-14(2)11-18(13-19,12-15(3)4)20(6)16(5)10-17-8-7-9-21-17/h7-9,14-16H,10-13,19H2,1-6H3
InChIKeyXHSPANXKLPJSPU-UHFFFAOYSA-N
XLogP4.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine with MolForge

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Related Compounds

4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 114867542
2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine
CID 79475762
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79475884
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 79489657
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-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79476562
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

Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine?
The IUPAC name of 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine (CID 114867817) is 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine is CC(C)CC(CN)(CC(C)C)N(C)C(C)Cc1cccs1.
What is the InChIKey of 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine?
The InChIKey is XHSPANXKLPJSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2S/c1-14(2)11-18(13-19,12-15(3)4)20(6)16(5)10-17-8-7-9-21-17/h7-9,14-16H,10-13,19H2,1-6H3.
What are the key properties of 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine?
2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine has a molecular weight of 310.55 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine is sourced from PubChem (CID 114867817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).