3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine

C16H30N2S — CID 83139639

IUPAC3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
SMILESCc1ncsc1CCC(CNCC(C)C)C(C)(C)C
InChIInChI=1S/C16H30N2S/c1-12(2)9-17-10-14(16(4,5)6)7-8-15-13(3)18-11-19-15/h11-12,14,17H,7-10H2,1-6H3
InChIKeyVRDDIDKFEPBVMW-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.29
Rot. Bonds7

About 3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine

3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine (PubChem CID 83139639) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
PubChem CID83139639
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
SMILESCc1ncsc1CCC(CNCC(C)C)C(C)(C)C
InChIInChI=1S/C16H30N2S/c1-12(2)9-17-10-14(16(4,5)6)7-8-15-13(3)18-11-19-15/h11-12,14,17H,7-10H2,1-6H3
InChIKeyVRDDIDKFEPBVMW-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62531100
2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
CID 102641549
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 62528685
1-(2-methylpropylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 60635617
3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol
CID 79424726
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743
3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83139055
2-methyl-N-[[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrazin-2-yl]methyl]propan-1-amine
CID 107381426
N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82438190
N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine
CID 114899207
2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63522364
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine (CID 83139639) is 3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine is Cc1ncsc1CCC(CNCC(C)C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine?
The InChIKey is VRDDIDKFEPBVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-12(2)9-17-10-14(16(4,5)6)7-8-15-13(3)18-11-19-15/h11-12,14,17H,7-10H2,1-6H3.
What are the key properties of 3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine?
3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine has a molecular weight of 282.50 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine is sourced from PubChem (CID 83139639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).