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

C14H26N2S — CID 55143487

IUPAC3-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCc1ncc(CC(CNCC(C)C)C(C)C)s1
InChIInChI=1S/C14H26N2S/c1-10(2)7-15-8-13(11(3)4)6-14-9-16-12(5)17-14/h9-11,13,15H,6-8H2,1-5H3
InChIKeyKHAVOOYGJFEPKE-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.51
Rot. Bonds7

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

3-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine (PubChem CID 55143487) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
PubChem CID55143487
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name3-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCc1ncc(CC(CNCC(C)C)C(C)C)s1
InChIInChI=1S/C14H26N2S/c1-10(2)7-15-8-13(11(3)4)6-14-9-16-12(5)17-14/h9-11,13,15H,6-8H2,1-5H3
InChIKeyKHAVOOYGJFEPKE-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine (CID 55143487) is 3-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine is Cc1ncc(CC(CNCC(C)C)C(C)C)s1.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The InChIKey is KHAVOOYGJFEPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-10(2)7-15-8-13(11(3)4)6-14-9-16-12(5)17-14/h9-11,13,15H,6-8H2,1-5H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
3-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine has a molecular weight of 254.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 55143487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).