1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

C14H26N2S — CID 81497928

IUPAC1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1ccc(C(C)(C)C)s1)N(C)C
InChIInChI=1S/C14H26N2S/c1-11(16(5)6)9-15-10-12-7-8-13(17-12)14(2,3)4/h7-8,11,15H,9-10H2,1-6H3
InChIKeyYEBCDVLBTVGOCX-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.09
Rot. Bonds5

About 1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 81497928) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID81497928
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1ccc(C(C)(C)C)s1)N(C)C
InChIInChI=1S/C14H26N2S/c1-11(16(5)6)9-15-10-12-7-8-13(17-12)14(2,3)4/h7-8,11,15H,9-10H2,1-6H3
InChIKeyYEBCDVLBTVGOCX-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904213
N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine
CID 123291785
N-[(5-tert-butylthiophen-2-yl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 81498673
1-N-[(4-tert-butylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913292
N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529605
2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335429
2-[[(5-tert-butylthiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106251612
2-N,2-N-dimethyl-1-N-[(5-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 115595821
2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
CID 61042812
N-[(5-tert-butylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115742295
N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81494858
N-[(5-tert-butylthiophen-2-yl)methyl]-2-methylsulfinylethanamine
CID 115742089

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 81497928) is 1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is CC(CNCc1ccc(C(C)(C)C)s1)N(C)C.
What is the InChIKey of 1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is YEBCDVLBTVGOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-11(16(5)6)9-15-10-12-7-8-13(17-12)14(2,3)4/h7-8,11,15H,9-10H2,1-6H3.
What are the key properties of 1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 81497928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).