2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine

C13H24N2S — CID 62949476

IUPAC2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine
SMILESCN(Cc1ccsc1)C(CN)CC(C)(C)C
InChIInChI=1S/C13H24N2S/c1-13(2,3)7-12(8-14)15(4)9-11-5-6-16-10-11/h5-6,10,12H,7-9,14H2,1-4H3
InChIKeyNCPOHDDDFSZOLZ-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.94
Rot. Bonds5

About 2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine

2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine (PubChem CID 62949476) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine
PubChem CID62949476
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine
SMILESCN(Cc1ccsc1)C(CN)CC(C)(C)C
InChIInChI=1S/C13H24N2S/c1-13(2,3)7-12(8-14)15(4)9-11-5-6-16-10-11/h5-6,10,12H,7-9,14H2,1-4H3
InChIKeyNCPOHDDDFSZOLZ-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethoxy-2-N-methyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 66269559
2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 60811268
N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528085
1-(3,4-dimethylphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43753496
1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528156
N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide
CID 43528245
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile
CID 60670408
1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421944
3-(2-bromo-4,4-dimethylpentyl)thiophene
CID 63542905
1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62487214
3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 103225664

Frequently Asked Questions

What is the IUPAC name of 2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine (CID 62949476) is 2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine is CN(Cc1ccsc1)C(CN)CC(C)(C)C.
What is the InChIKey of 2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine?
The InChIKey is NCPOHDDDFSZOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-13(2,3)7-12(8-14)15(4)9-11-5-6-16-10-11/h5-6,10,12H,7-9,14H2,1-4H3.
What are the key properties of 2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine?
2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 62949476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).