5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine

C14H27N3S — CID 62767340

IUPAC5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)C(C)C(C)(C)C)sc1CN
InChIInChI=1S/C14H27N3S/c1-7-8-11-12(9-15)18-13(16-11)17(6)10(2)14(3,4)5/h10H,7-9,15H2,1-6H3
InChIKeyOEUXFUJIQGBYMS-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.43
Rot. Bonds5

About 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine (PubChem CID 62767340) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine
PubChem CID62767340
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)C(C)C(C)(C)C)sc1CN
InChIInChI=1S/C14H27N3S/c1-7-8-11-12(9-15)18-13(16-11)17(6)10(2)14(3,4)5/h10H,7-9,15H2,1-6H3
InChIKeyOEUXFUJIQGBYMS-UHFFFAOYSA-N
XLogP3.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine (CID 62767340) is 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(C)C(C)C(C)(C)C)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine?
The InChIKey is OEUXFUJIQGBYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-7-8-11-12(9-15)18-13(16-11)17(6)10(2)14(3,4)5/h10H,7-9,15H2,1-6H3.
What are the key properties of 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine has a molecular weight of 269.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62767340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).