1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine

C15H28N2S — CID 79409024

IUPAC1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
SMILESCC(CNC(C)(C)C)C(C)N(C)Cc1cccs1
InChIInChI=1S/C15H28N2S/c1-12(10-16-15(3,4)5)13(2)17(6)11-14-8-7-9-18-14/h7-9,12-13,16H,10-11H2,1-6H3
InChIKeyFMXWHIWFBFRGCF-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.59
Rot. Bonds6

About 1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine

1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine (PubChem CID 79409024) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
PubChem CID79409024
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
SMILESCC(CNC(C)(C)C)C(C)N(C)Cc1cccs1
InChIInChI=1S/C15H28N2S/c1-12(10-16-15(3,4)5)13(2)17(6)11-14-8-7-9-18-14/h7-9,12-13,16H,10-11H2,1-6H3
InChIKeyFMXWHIWFBFRGCF-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62463060
1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79494868
1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine
CID 79486169
1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 79408522
1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 79494865
1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103225052
3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 115883398
1-N-ethyl-2-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62421908
1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317503
3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 61452589
2-N-ethyl-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463283
N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 103069350

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine (CID 79409024) is 1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine is CC(CNC(C)(C)C)C(C)N(C)Cc1cccs1.
What is the InChIKey of 1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine?
The InChIKey is FMXWHIWFBFRGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-12(10-16-15(3,4)5)13(2)17(6)11-14-8-7-9-18-14/h7-9,12-13,16H,10-11H2,1-6H3.
What are the key properties of 1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine?
1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 79409024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).