N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine

C13H24N2S — CID 79823975

IUPACN-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine
SMILESCCNC(CCCc1nccs1)C(C)(C)C
InChIInChI=1S/C13H24N2S/c1-5-14-11(13(2,3)4)7-6-8-12-15-9-10-16-12/h9-11,14H,5-8H2,1-4H3
InChIKeyLDTVNTRPQNJLID-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.49
Rot. Bonds6

About N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine

N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine (PubChem CID 79823975) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine
PubChem CID79823975
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine
SMILESCCNC(CCCc1nccs1)C(C)(C)C
InChIInChI=1S/C13H24N2S/c1-5-14-11(13(2,3)4)7-6-8-12-15-9-10-16-12/h9-11,14H,5-8H2,1-4H3
InChIKeyLDTVNTRPQNJLID-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine
CID 79823863
5-(1,3-thiazol-2-yl)pentan-2-ol
CID 79824086
2-methyl-N-[3-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 79823969
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine
CID 79994930
N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine
CID 79738785
N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824082
2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
CID 79825166
N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine
CID 79823745
propane-1,1-diamine;2-propyl-1,3-thiazole
CID 67654906
1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242464
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine (CID 79823975) is N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine is CCNC(CCCc1nccs1)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine?
The InChIKey is LDTVNTRPQNJLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-14-11(13(2,3)4)7-6-8-12-15-9-10-16-12/h9-11,14H,5-8H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine?
N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine has a molecular weight of 240.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine is sourced from PubChem (CID 79823975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).