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

C13H24N2S — CID 114868540

IUPAC2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine
SMILESCc1csc(C(N)(CC(C)C)CC(C)C)n1
InChIInChI=1S/C13H24N2S/c1-9(2)6-13(14,7-10(3)4)12-15-11(5)8-16-12/h8-10H,6-7,14H2,1-5H3
InChIKeySYNGFYSTEQQYSF-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.70
Rot. Bonds5

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

2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine (PubChem CID 114868540) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine
PubChem CID114868540
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine
SMILESCc1csc(C(N)(CC(C)C)CC(C)C)n1
InChIInChI=1S/C13H24N2S/c1-9(2)6-13(14,7-10(3)4)12-15-11(5)8-16-12/h8-10H,6-7,14H2,1-5H3
InChIKeySYNGFYSTEQQYSF-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride
CID 52988778
N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 61331371
(2R)-1-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 124679641
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
CID 61330642
1-(2-methylcyclopropyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 130698574
3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
CID 61332999
4-methyl-2-(3-methylbutyl)-1,3-thiazole
CID 115641470
1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 130703480
2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]propanamide
CID 110470336
3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine
CID 63952060
(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 104941052
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine?
The IUPAC name of 2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine (CID 114868540) is 2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine.
What is the SMILES notation for 2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine?
The canonical SMILES for 2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine is Cc1csc(C(N)(CC(C)C)CC(C)C)n1.
What is the InChIKey of 2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine?
The InChIKey is SYNGFYSTEQQYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-9(2)6-13(14,7-10(3)4)12-15-11(5)8-16-12/h8-10H,6-7,14H2,1-5H3.
What are the key properties of 2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine?
2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine has a molecular weight of 240.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine is sourced from PubChem (CID 114868540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).