2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

C18H34N2S — CID 63492986

IUPAC2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCCC(C)(CNC(C)C)CN(Cc1cccs1)C(C)C
InChIInChI=1S/C18H34N2S/c1-7-10-18(6,13-19-15(2)3)14-20(16(4)5)12-17-9-8-11-21-17/h8-9,11,15-16,19H,7,10,12-14H2,1-6H3
InChIKeyFNBDFTBRCOPYJH-UHFFFAOYSA-N
MW310.55 g/mol
LogP4.76
Rot. Bonds10

About 2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 63492986) has the molecular formula C18H34N2S and a molecular weight of 310.55 g/mol. Its IUPAC name is 2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID63492986
Molecular FormulaC18H34N2S
Molecular Weight310.55 g/mol
Exact Mass310.24
IUPAC Name2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCCC(C)(CNC(C)C)CN(Cc1cccs1)C(C)C
InChIInChI=1S/C18H34N2S/c1-7-10-18(6,13-19-15(2)3)14-20(16(4)5)12-17-9-8-11-21-17/h8-9,11,15-16,19H,7,10,12-14H2,1-6H3
InChIKeyFNBDFTBRCOPYJH-UHFFFAOYSA-N
XLogP4.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-propan-2-yl-2-(thiophen-2-ylmethyl)pentan-1-amine
CID 62725024
2,2-dimethyl-N-propan-2-yl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258945
N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 55051533
N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258772
N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62262477
2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62847316
N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556484
2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine
CID 55237684
N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261090
N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 65487674
2-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pentanamide
CID 54946833
2-[3-(chloromethyl)-3-methylhexyl]thiophene
CID 66034465

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 63492986) is 2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is CCCC(C)(CNC(C)C)CN(Cc1cccs1)C(C)C.
What is the InChIKey of 2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is FNBDFTBRCOPYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2S/c1-7-10-18(6,13-19-15(2)3)14-20(16(4)5)12-17-9-8-11-21-17/h8-9,11,15-16,19H,7,10,12-14H2,1-6H3.
What are the key properties of 2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 310.55 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 63492986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).