N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine

C12H22N2S — CID 105030464

IUPACN-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine
SMILESCCNC(Cc1cncs1)CC(C)CC
InChIInChI=1S/C12H22N2S/c1-4-10(3)6-11(14-5-2)7-12-8-13-9-15-12/h8-11,14H,4-7H2,1-3H3
InChIKeyRVZMFKWKWTYRAV-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.10
Rot. Bonds7

About N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine

N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine (PubChem CID 105030464) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine
PubChem CID105030464
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine
SMILESCCNC(Cc1cncs1)CC(C)CC
InChIInChI=1S/C12H22N2S/c1-4-10(3)6-11(14-5-2)7-12-8-13-9-15-12/h8-11,14H,4-7H2,1-3H3
InChIKeyRVZMFKWKWTYRAV-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643040
N-ethyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642914
N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105015031
1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642980
N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645544
1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642799
1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643130
1-propan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643118
N-ethyl-1-(thiadiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177958
5-[2-(bromomethyl)butyl]-1,3-thiazole
CID 112645329
3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine
CID 63843497
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine (CID 105030464) is N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine is CCNC(Cc1cncs1)CC(C)CC.
What is the InChIKey of N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine?
The InChIKey is RVZMFKWKWTYRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-4-10(3)6-11(14-5-2)7-12-8-13-9-15-12/h8-11,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine?
N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine is sourced from PubChem (CID 105030464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).