N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine

C15H28N2S — CID 65295773

IUPACN',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine
SMILESCC(c1cccs1)N(C)CCCC(C)(C)CCN
InChIInChI=1S/C15H28N2S/c1-13(14-7-5-12-18-14)17(4)11-6-8-15(2,3)9-10-16/h5,7,12-13H,6,8-11,16H2,1-4H3
InChIKeyIZKCTNNSYGXBLD-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.90
Rot. Bonds8

About N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine

N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine (PubChem CID 65295773) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine
PubChem CID65295773
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine
SMILESCC(c1cccs1)N(C)CCCC(C)(C)CCN
InChIInChI=1S/C15H28N2S/c1-13(14-7-5-12-18-14)17(4)11-6-8-15(2,3)9-10-16/h5,7,12-13H,6,8-11,16H2,1-4H3
InChIKeyIZKCTNNSYGXBLD-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-(1-thiophen-2-ylethyl)hexane-1,5-diamine
CID 82853429
N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine
CID 62431531
2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 65254528
N-methyl-N-(2-phenylethyl)-1-thiophen-2-ylethanamine
CID 78827605
N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62562744
2-(2,2-dimethylhydrazinyl)-2-thiophen-2-ylethanamine
CID 83011900
N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine
CID 65296234
N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257620
N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366231
N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 65295753
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 54980749
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685

Frequently Asked Questions

What is the IUPAC name of N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine?
The IUPAC name of N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine (CID 65295773) is N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine.
What is the SMILES notation for N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine?
The canonical SMILES for N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine is CC(c1cccs1)N(C)CCCC(C)(C)CCN.
What is the InChIKey of N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine?
The InChIKey is IZKCTNNSYGXBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-13(14-7-5-12-18-14)17(4)11-6-8-15(2,3)9-10-16/h5,7,12-13H,6,8-11,16H2,1-4H3.
What are the key properties of N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine?
N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine is sourced from PubChem (CID 65295773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).