N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine

C13H22N2S — CID 115698956

IUPACN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1cnc(C2CC2)s1
InChIInChI=1S/C13H22N2S/c1-4-7-13(2,3)15-9-11-8-14-12(16-11)10-5-6-10/h8,10,15H,4-7,9H2,1-3H3
InChIKeyRMJQANVQAXXPIP-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.69
Rot. Bonds6

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

N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine (PubChem CID 115698956) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine
PubChem CID115698956
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1cnc(C2CC2)s1
InChIInChI=1S/C13H22N2S/c1-4-7-13(2,3)15-9-11-8-14-12(16-11)10-5-6-10/h8,10,15H,4-7,9H2,1-3H3
InChIKeyRMJQANVQAXXPIP-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine (CID 115698956) is N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine is CCCC(C)(C)NCc1cnc(C2CC2)s1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine?
The InChIKey is RMJQANVQAXXPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-7-13(2,3)15-9-11-8-14-12(16-11)10-5-6-10/h8,10,15H,4-7,9H2,1-3H3.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine?
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine is sourced from PubChem (CID 115698956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).