N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine

C13H24N2S — CID 83161569

IUPACN,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
SMILESCNC(CCCC(C)C)Cc1nc(C)cs1
InChIInChI=1S/C13H24N2S/c1-10(2)6-5-7-12(14-4)8-13-15-11(3)9-16-13/h9-10,12,14H,5-8H2,1-4H3
InChIKeyWXFSBJYHXNNFNC-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.41
Rot. Bonds7

About N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine

N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine (PubChem CID 83161569) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
PubChem CID83161569
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
SMILESCNC(CCCC(C)C)Cc1nc(C)cs1
InChIInChI=1S/C13H24N2S/c1-10(2)6-5-7-12(14-4)8-13-15-11(3)9-16-13/h9-10,12,14H,5-8H2,1-4H3
InChIKeyWXFSBJYHXNNFNC-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine
CID 62795679
4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 78917521
N,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83162096
4-methyl-2-(3-methylbutyl)-1,3-thiazole
CID 115641470
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62795685
1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 103169247
1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 82923060
N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 82877070
1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 106868100
1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62794811
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62796362

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine?
The IUPAC name of N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine (CID 83161569) is N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine.
What is the SMILES notation for N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine?
The canonical SMILES for N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine is CNC(CCCC(C)C)Cc1nc(C)cs1.
What is the InChIKey of N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine?
The InChIKey is WXFSBJYHXNNFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-10(2)6-5-7-12(14-4)8-13-15-11(3)9-16-13/h9-10,12,14H,5-8H2,1-4H3.
What are the key properties of N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine?
N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine is sourced from PubChem (CID 83161569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).