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

C12H22N2S — CID 83161989

IUPAC6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
SMILESCc1nc(CC(N)CCCC(C)C)cs1
InChIInChI=1S/C12H22N2S/c1-9(2)5-4-6-11(13)7-12-8-15-10(3)14-12/h8-9,11H,4-7,13H2,1-3H3
InChIKeyNEECMCMLPWFMPH-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.15
Rot. Bonds6

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

6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine (PubChem CID 83161989) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine.

Molecular Properties

Compound Name6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
PubChem CID83161989
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
SMILESCc1nc(CC(N)CCCC(C)C)cs1
InChIInChI=1S/C12H22N2S/c1-9(2)5-4-6-11(13)7-12-8-15-10(3)14-12/h8-9,11H,4-7,13H2,1-3H3
InChIKeyNEECMCMLPWFMPH-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83162096
5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 65095510
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55119893
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-2-amine
CID 79178263
1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine
CID 65296187
1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol
CID 62798439
1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352239
1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 79748691
N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
CID 104996898
5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol
CID 106677820

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine?
The IUPAC name of 6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine (CID 83161989) is 6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine.
What is the SMILES notation for 6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine?
The canonical SMILES for 6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine is Cc1nc(CC(N)CCCC(C)C)cs1.
What is the InChIKey of 6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine?
The InChIKey is NEECMCMLPWFMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9(2)5-4-6-11(13)7-12-8-15-10(3)14-12/h8-9,11H,4-7,13H2,1-3H3.
What are the key properties of 6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine?
6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine is sourced from PubChem (CID 83161989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).