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

C15H28N2S — CID 55143486

IUPAC4-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
SMILESCc1ncc(CC(CNCC(C)C)CC(C)C)s1
InChIInChI=1S/C15H28N2S/c1-11(2)6-14(9-16-8-12(3)4)7-15-10-17-13(5)18-15/h10-12,14,16H,6-9H2,1-5H3
InChIKeyKRUGWFYGHCXSBM-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.90
Rot. Bonds8

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

4-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine (PubChem CID 55143486) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
PubChem CID55143486
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name4-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
SMILESCc1ncc(CC(CNCC(C)C)CC(C)C)s1
InChIInChI=1S/C15H28N2S/c1-11(2)6-14(9-16-8-12(3)4)7-15-10-17-13(5)18-15/h10-12,14,16H,6-9H2,1-5H3
InChIKeyKRUGWFYGHCXSBM-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine (CID 55143486) is 4-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine is Cc1ncc(CC(CNCC(C)C)CC(C)C)s1.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine?
The InChIKey is KRUGWFYGHCXSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-11(2)6-14(9-16-8-12(3)4)7-15-10-17-13(5)18-15/h10-12,14,16H,6-9H2,1-5H3.
What are the key properties of 4-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine?
4-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine has a molecular weight of 268.47 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine is sourced from PubChem (CID 55143486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).